4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one

C17H20N8O — CID 155798932

IUPAC4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCn1cnc2ncnc(N3CCN(c4nc(C5CC5)cc(=O)[nH]4)CC3)c21
InChIInChI=1S/C17H20N8O/c1-23-10-20-15-14(23)16(19-9-18-15)24-4-6-25(7-5-24)17-21-12(11-2-3-11)8-13(26)22-17/h8-11H,2-7H2,1H3,(H,21,22,26)
InChIKeyMJQLCNGIMKWWKC-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.65
Rot. Bonds3

About 4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one

4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 155798932) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID155798932
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCn1cnc2ncnc(N3CCN(c4nc(C5CC5)cc(=O)[nH]4)CC3)c21
InChIInChI=1S/C17H20N8O/c1-23-10-20-15-14(23)16(19-9-18-15)24-4-6-25(7-5-24)17-21-12(11-2-3-11)8-13(26)22-17/h8-11H,2-7H2,1H3,(H,21,22,26)
InChIKeyMJQLCNGIMKWWKC-UHFFFAOYSA-N
XLogP0.65
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 154853672
7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679
6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine
CID 154853588
2-[(4-fluorophenyl)methyl]-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]pyridazin-3-one
CID 163357374
4-cyclopropyl-2-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 163357375
4-cyclopropyl-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 163357278
6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine
CID 163344430
7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine
CID 163352347
7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 155798866
N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 171323725
[5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10320294

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 155798932) is 4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one is Cn1cnc2ncnc(N3CCN(c4nc(C5CC5)cc(=O)[nH]4)CC3)c21.
What is the InChIKey of 4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is MJQLCNGIMKWWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-23-10-20-15-14(23)16(19-9-18-15)24-4-6-25(7-5-24)17-21-12(11-2-3-11)8-13(26)22-17/h8-11H,2-7H2,1H3,(H,21,22,26).
What are the key properties of 4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 352.40 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[4-(7-methylpurin-6-yl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 155798932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).