2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine

C23H29N7O — CID 141298855

IUPAC2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESN[C@H]1CCCC[C@H]1Nc1nc(Nc2ccc(N3CCOCC3)cc2)c2cnccc2n1
InChIInChI=1S/C23H29N7O/c24-19-3-1-2-4-21(19)28-23-27-20-9-10-25-15-18(20)22(29-23)26-16-5-7-17(8-6-16)30-11-13-31-14-12-30/h5-10,15,19,21H,1-4,11-14,24H2,(H2,26,27,28,29)/t19-,21+/m0/s1
InChIKeyWZRDOWYHPAMGIG-PZJWPPBQSA-N
MW419.53 g/mol
LogP3.29
Rot. Bonds5

About 2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine

2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 141298855) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID141298855
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESN[C@H]1CCCC[C@H]1Nc1nc(Nc2ccc(N3CCOCC3)cc2)c2cnccc2n1
InChIInChI=1S/C23H29N7O/c24-19-3-1-2-4-21(19)28-23-27-20-9-10-25-15-18(20)22(29-23)26-16-5-7-17(8-6-16)30-11-13-31-14-12-30/h5-10,15,19,21H,1-4,11-14,24H2,(H2,26,27,28,29)/t19-,21+/m0/s1
InChIKeyWZRDOWYHPAMGIG-PZJWPPBQSA-N
XLogP3.29
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56599747
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(3-morpholin-4-ylphenyl)anilino]pyrimidine-5-carboxamide
CID 57471960
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(morpholin-4-ylmethyl)anilino]pyrimidine-5-carboxamide
CID 57471866
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine
CID 143049590
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(oxan-4-yl)anilino]pyrimidine-5-carboxamide
CID 57471966
4-N-cyclobutyl-2-N-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 70657969
2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 63180098
trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 102731235
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(isoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 71577948

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine (CID 141298855) is 2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine is N[C@H]1CCCC[C@H]1Nc1nc(Nc2ccc(N3CCOCC3)cc2)c2cnccc2n1.
What is the InChIKey of 2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is WZRDOWYHPAMGIG-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H29N7O/c24-19-3-1-2-4-21(19)28-23-27-20-9-10-25-15-18(20)22(29-23)26-16-5-7-17(8-6-16)30-11-13-31-14-12-30/h5-10,15,19,21H,1-4,11-14,24H2,(H2,26,27,28,29)/t19-,21+/m0/s1.
What are the key properties of 2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine?
2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 419.53 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R,2S)-2-aminocyclohexyl]-4-N-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 141298855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).