6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine

C24H29N9O2 — CID 91105429

IUPAC6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine
SMILESCOCCCNc1cc(Nc2cc(C)[nH]n2)nc(N2CCC[C@H]2c2conc2-c2ccccn2)n1
InChIInChI=1S/C24H29N9O2/c1-16-13-22(31-30-16)27-21-14-20(26-10-6-12-34-2)28-24(29-21)33-11-5-8-19(33)17-15-35-32-23(17)18-7-3-4-9-25-18/h3-4,7,9,13-15,19H,5-6,8,10-12H2,1-2H3,(H3,26,27,28,29,30,31)/t19-/m0/s1
InChIKeyYULIMDPTIBLDCH-IBGZPJMESA-N
MW475.56 g/mol
LogP4.09
Rot. Bonds10

About 6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine

6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine (PubChem CID 91105429) has the molecular formula C24H29N9O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is 6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine
PubChem CID91105429
Molecular FormulaC24H29N9O2
Molecular Weight475.56 g/mol
Exact Mass475.24
IUPAC Name6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine
SMILESCOCCCNc1cc(Nc2cc(C)[nH]n2)nc(N2CCC[C@H]2c2conc2-c2ccccn2)n1
InChIInChI=1S/C24H29N9O2/c1-16-13-22(31-30-16)27-21-14-20(26-10-6-12-34-2)28-24(29-21)33-11-5-8-19(33)17-15-35-32-23(17)18-7-3-4-9-25-18/h3-4,7,9,13-15,19H,5-6,8,10-12H2,1-2H3,(H3,26,27,28,29,30,31)/t19-/m0/s1
InChIKeyYULIMDPTIBLDCH-IBGZPJMESA-N
XLogP4.09
TPSA129.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]-N~4~-[5-(2-Phenylethyl)-1h-Pyrazol-3-Yl]pyrimidine-2,4-Diamine
CID 60154330
5-bromo-4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 60154341
2-[1-[(2-fluorophenyl)methyl]-5-(3-isoxazolyl)-1H-pyrazol-3-yl]-4-pyrimidinamine
CID 68642339
3-[1-[(2-Fluorophenyl)methyl]-3-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 86267516
3-[1-[(2-Fluorophenyl)methyl]-3-(5-fluoro-4-piperidin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 86267517
3-[1-[(2-Fluorophenyl)methyl]-3-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 86267519
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 86267722
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methylpyrimidin-4-amine
CID 90446443
N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546472
4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
CID 72946853
4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
CID 72946854
4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
CID 72946855

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine (CID 91105429) is 6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine is COCCCNc1cc(Nc2cc(C)[nH]n2)nc(N2CCC[C@H]2c2conc2-c2ccccn2)n1.
What is the InChIKey of 6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine?
The InChIKey is YULIMDPTIBLDCH-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N9O2/c1-16-13-22(31-30-16)27-21-14-20(26-10-6-12-34-2)28-24(29-21)33-11-5-8-19(33)17-15-35-32-23(17)18-7-3-4-9-25-18/h3-4,7,9,13-15,19H,5-6,8,10-12H2,1-2H3,(H3,26,27,28,29,30,31)/t19-/m0/s1.
What are the key properties of 6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine?
6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine has a molecular weight of 475.56 g/mol, XLogP of 4.09, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 91105429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).