2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one

C16H21N7O — CID 135990906

IUPAC2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one
SMILESCCCc1nc(NCCc2cc(=O)[nH]c(C)n2)c2cnn(C)c2n1
InChIInChI=1S/C16H21N7O/c1-4-5-13-21-15(12-9-18-23(3)16(12)22-13)17-7-6-11-8-14(24)20-10(2)19-11/h8-9H,4-7H2,1-3H3,(H,17,21,22)(H,19,20,24)
InChIKeyRQRCAUGWWDGGQE-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.36
Rot. Bonds6

About 2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one

2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one (PubChem CID 135990906) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one
PubChem CID135990906
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one
SMILESCCCc1nc(NCCc2cc(=O)[nH]c(C)n2)c2cnn(C)c2n1
InChIInChI=1S/C16H21N7O/c1-4-5-13-21-15(12-9-18-23(3)16(12)22-13)17-7-6-11-8-14(24)20-10(2)19-11/h8-9H,4-7H2,1-3H3,(H,17,21,22)(H,19,20,24)
InChIKeyRQRCAUGWWDGGQE-UHFFFAOYSA-N
XLogP1.36
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-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 2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one (CID 135990906) is 2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one is CCCc1nc(NCCc2cc(=O)[nH]c(C)n2)c2cnn(C)c2n1.
What is the InChIKey of 2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is RQRCAUGWWDGGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-4-5-13-21-15(12-9-18-23(3)16(12)22-13)17-7-6-11-8-14(24)20-10(2)19-11/h8-9H,4-7H2,1-3H3,(H,17,21,22)(H,19,20,24).
What are the key properties of 2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one?
2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 327.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135990906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).