3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C19H25N7O — CID 135896326

IUPAC3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3Nc3ncccn3)nc12
InChIInChI=1S/C19H25N7O/c1-11(2)15-16-17(26-25-15)18(27)24-14(23-16)10-12-6-3-4-7-13(12)22-19-20-8-5-9-21-19/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,25,26)(H,20,21,22)(H,23,24,27)/t12-,13+/m0/s1
InChIKeyBJVCVIRGZHSCSW-QWHCGFSZSA-N
MW367.46 g/mol
LogP2.77
Rot. Bonds5

About 3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135896326) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135896326
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3Nc3ncccn3)nc12
InChIInChI=1S/C19H25N7O/c1-11(2)15-16-17(26-25-15)18(27)24-14(23-16)10-12-6-3-4-7-13(12)22-19-20-8-5-9-21-19/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,25,26)(H,20,21,22)(H,23,24,27)/t12-,13+/m0/s1
InChIKeyBJVCVIRGZHSCSW-QWHCGFSZSA-N
XLogP2.77
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 135896326) is 3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CC(C)c1[nH]nc2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3Nc3ncccn3)nc12.
What is the InChIKey of 3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is BJVCVIRGZHSCSW-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H25N7O/c1-11(2)15-16-17(26-25-15)18(27)24-14(23-16)10-12-6-3-4-7-13(12)22-19-20-8-5-9-21-19/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,25,26)(H,20,21,22)(H,23,24,27)/t12-,13+/m0/s1.
What are the key properties of 3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 367.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[[(1S,2R)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135896326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).