6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine

C21H30N8O — CID 159234822

IUPAC6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine
SMILESCC(Nc1nc(Nc2ccn(C(C)C)n2)nc2c1ncn2C1CCCCO1)C1CC1
InChIInChI=1S/C21H30N8O/c1-13(2)29-10-9-16(27-29)24-21-25-19(23-14(3)15-7-8-15)18-20(26-21)28(12-22-18)17-6-4-5-11-30-17/h9-10,12-15,17H,4-8,11H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyVPFQHFNJWLOJNL-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.26
Rot. Bonds7

About 6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine

6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine (PubChem CID 159234822) has the molecular formula C21H30N8O and a molecular weight of 410.53 g/mol. Its IUPAC name is 6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine
PubChem CID159234822
Molecular FormulaC21H30N8O
Molecular Weight410.53 g/mol
Exact Mass410.25
IUPAC Name6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine
SMILESCC(Nc1nc(Nc2ccn(C(C)C)n2)nc2c1ncn2C1CCCCO1)C1CC1
InChIInChI=1S/C21H30N8O/c1-13(2)29-10-9-16(27-29)24-21-25-19(23-14(3)15-7-8-15)18-20(26-21)28(12-22-18)17-6-4-5-11-30-17/h9-10,12-15,17H,4-8,11H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyVPFQHFNJWLOJNL-UHFFFAOYSA-N
XLogP4.26
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-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

2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-N-[1-(oxan-4-yl)ethyl]purin-6-amine
CID 175342020
N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine
CID 135129621
2-methoxy-6-methyl-9-(oxan-2-yl)purine
CID 133059804
4-N-[2-fluoro-9-(oxan-2-yl)purin-6-yl]benzene-1,4-diamine
CID 146574821
9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine
CID 176926702
9-(oxan-2-yl)-6-propan-2-ylpurine
CID 15277787
6-N-cyclopropyl-2-N-[4-(2-methylsulfanylphenyl)quinolin-6-yl]-9-(oxan-2-yl)purine-2,6-diamine
CID 121464156
N-cyclopropyl-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 141152403
1-N,4-N-bis[2-chloro-9-(oxan-2-yl)purin-6-yl]cyclohexane-1,4-diamine
CID 59343091
N-(4-bromophenyl)-2-methylsulfanyl-9-(oxan-2-yl)purin-6-amine
CID 146574919
N-(4-chlorophenyl)-2-methylsulfanyl-9-(oxan-2-yl)purin-6-amine
CID 146574646
2-bromo-N-(4-chlorophenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574830

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine?
The IUPAC name of 6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine (CID 159234822) is 6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine.
What is the SMILES notation for 6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine?
The canonical SMILES for 6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine is CC(Nc1nc(Nc2ccn(C(C)C)n2)nc2c1ncn2C1CCCCO1)C1CC1.
What is the InChIKey of 6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine?
The InChIKey is VPFQHFNJWLOJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8O/c1-13(2)29-10-9-16(27-29)24-21-25-19(23-14(3)15-7-8-15)18-20(26-21)28(12-22-18)17-6-4-5-11-30-17/h9-10,12-15,17H,4-8,11H2,1-3H3,(H2,23,24,25,26,27).
What are the key properties of 6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine?
6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine has a molecular weight of 410.53 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-cyclopropylethyl)-9-(oxan-2-yl)-2-N-(1-propan-2-ylpyrazol-3-yl)purine-2,6-diamine is sourced from PubChem (CID 159234822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).