4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride

C68H105Cl3N18O8 — CID 157097634

About 4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride

4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride (PubChem CID 157097634) has the molecular formula C68H105Cl3N18O8 and a molecular weight of 1409.06 g/mol. Its IUPAC name is 4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride.

Molecular Properties

• Compound Name: 4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride
• PubChem CID: 157097634
• Molecular Formula: C68H105Cl3N18O8
• Molecular Weight: 1409.06 g/mol
• Exact Mass: 1406.74
• IUPAC Name: 4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride
• SMILES: C.CCN(C(C)C)C(C)C.COc1ccc(CN)c(OC)c1.COc1ccc(CNc2nc(N[C@@H](C)CCC(=O)OC(C)(C)C)c3ncccc3n2)c(OC)c1.C[C@@H](CN)Nc1nc(N)nc2cccnc12.C[C@H](N)CNC(=O)OC(C)(C)C.Cl.Clc1nc(Cl)c2ncccc2n1
• InChI: InChI=1S/C25H33N5O4.C10H14N6.C9H13NO2.C8H18N2O2.C8H19N.C7H3Cl2N3.CH4.ClH/c1-16(9-12-21(31)34-25(2,3)4)28-23-22-19(8-7-13-26-22)29-24(30-23)27-15-17-10-11-18(32-5)14-20(17)33-6;1-6(5-11)14-9-8-7(3-2-4-13-8)15-10(12)16-9;1-11-8-4-3-7(6-10)9(5-8)12-2;1-6(9)5-10-7(11)12-8(2,3)4;1-6-9(7(2)3)8(4)5;8-6-5-4(2-1-3-10-5)11-7(9)12-6;;/h7-8,10-11,13-14,16H,9,12,15H2,1-6H3,(H2,27,28,29,30);2-4,6H,5,11H2,1H3,(H3,12,14,15,16);3-5H,6,10H2,1-2H3;6H,5,9H2,1-4H3,(H,10,11);7-8H,6H2,1-5H3;1-3H;1H4;1H/t16-;6-;;6-;;;;/m00.0..../s1
• InChIKey: UZIDACMKULSCGL-PKIBTXIJSA-N
• XLogP: 12.48
• TPSA: 360.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1409.06
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride?

The IUPAC name of 4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride (CID 157097634) is 4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride.

What is the SMILES notation for 4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride?

The canonical SMILES for 4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride is C.CCN(C(C)C)C(C)C.COc1ccc(CN)c(OC)c1.COc1ccc(CNc2nc(N[C@@H](C)CCC(=O)OC(C)(C)C)c3ncccc3n2)c(OC)c1.C[C@@H](CN)Nc1nc(N)nc2cccnc12.C[C@H](N)CNC(=O)OC(C)(C)C.Cl.Clc1nc(Cl)c2ncccc2n1.

What is the InChIKey of 4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride?

The InChIKey is UZIDACMKULSCGL-PKIBTXIJSA-N. The full InChI is InChI=1S/C25H33N5O4.C10H14N6.C9H13NO2.C8H18N2O2.C8H19N.C7H3Cl2N3.CH4.ClH/c1-16(9-12-21(31)34-25(2,3)4)28-23-22-19(8-7-13-26-22)29-24(30-23)27-15-17-10-11-18(32-5)14-20(17)33-6;1-6(5-11)14-9-8-7(3-2-4-13-8)15-10(12)16-9;1-11-8-4-3-7(6-10)9(5-8)12-2;1-6(9)5-10-7(11)12-8(2,3)4;1-6-9(7(2)3)8(4)5;8-6-5-4(2-1-3-10-5)11-7(9)12-6;;/h7-8,10-11,13-14,16H,9,12,15H2,1-6H3,(H2,27,28,29,30);2-4,6H,5,11H2,1H3,(H3,12,14,15,16);3-5H,6,10H2,1-2H3;6H,5,9H2,1-4H3,(H,10,11);7-8H,6H2,1-5H3;1-3H;1H4;1H/t16-;6-;;6-;;;;/m00.0..../s1.

What are the key properties of 4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride?

4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride has a molecular weight of 1409.06 g/mol, XLogP of 12.48, 21 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;tert-butyl N-[(2S)-2-aminopropyl]carbamate;tert-butyl (4S)-4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pentanoate;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;hydrochloride is sourced from PubChem (CID 157097634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).