(3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride

C40H40Cl6N14O6 — CID 157412520

About (3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride

(3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride (PubChem CID 157412520) has the molecular formula C40H40Cl6N14O6 and a molecular weight of 1025.57 g/mol. Its IUPAC name is (3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

• Compound Name: (3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride
• PubChem CID: 157412520
• Molecular Formula: C40H40Cl6N14O6
• Molecular Weight: 1025.57 g/mol
• Exact Mass: 1022.14
• IUPAC Name: (3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride
• SMILES: COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)nc3cn2)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(N[C@@H]4COCC[C@@H]4N=[N+]=[N-])nc3cn2)c1Cl.Cl.[N-]=[N+]=N[C@H]1CCOC[C@H]1N
• InChI: InChI=1S/C20H19Cl2N7O3.C15H10Cl3N3O2.C5H10N4O.ClH/c1-30-15-6-16(31-2)19(22)17(18(15)21)12-5-10-7-25-20(26-13(10)8-24-12)27-14-9-32-4-3-11(14)28-29-23;1-22-10-4-11(23-2)14(17)12(13(10)16)8-3-7-5-20-15(18)21-9(7)6-19-8;6-4-3-10-2-1-5(4)8-9-7;/h5-8,11,14H,3-4,9H2,1-2H3,(H,25,26,27);3-6H,1-2H3;4-5H,1-3,6H2;1H/t11-,14+;;4-,5+;/m0.1./s1
• InChIKey: SJUCBHUPFNIARU-IVUAYRIWSA-N
• XLogP: 10.40
• TPSA: 268.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1025.57
LogP ≤ 5	10.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride?

The IUPAC name of (3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride (CID 157412520) is (3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride.

What is the SMILES notation for (3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride?

The canonical SMILES for (3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride is COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)nc3cn2)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(N[C@@H]4COCC[C@@H]4N=[N+]=[N-])nc3cn2)c1Cl.Cl.[N-]=[N+]=N[C@H]1CCOC[C@H]1N.

What is the InChIKey of (3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride?

The InChIKey is SJUCBHUPFNIARU-IVUAYRIWSA-N. The full InChI is InChI=1S/C20H19Cl2N7O3.C15H10Cl3N3O2.C5H10N4O.ClH/c1-30-15-6-16(31-2)19(22)17(18(15)21)12-5-10-7-25-20(26-13(10)8-24-12)27-14-9-32-4-3-11(14)28-29-23;1-22-10-4-11(23-2)14(17)12(13(10)16)8-3-7-5-20-15(18)21-9(7)6-19-8;6-4-3-10-2-1-5(4)8-9-7;/h5-8,11,14H,3-4,9H2,1-2H3,(H,25,26,27);3-6H,1-2H3;4-5H,1-3,6H2;1H/t11-,14+;;4-,5+;/m0.1./s1.

What are the key properties of (3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride?

(3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride has a molecular weight of 1025.57 g/mol, XLogP of 10.40, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 157412520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).