2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile

C17H19N7 — CID 155798318

IUPAC2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile
SMILESCc1nc2c(c(N3CCN(c4nccc(C#N)n4)CC3)n1)CCC2
InChIInChI=1S/C17H19N7/c1-12-20-15-4-2-3-14(15)16(21-12)23-7-9-24(10-8-23)17-19-6-5-13(11-18)22-17/h5-6H,2-4,7-10H2,1H3
InChIKeyXDVUVXWEKDYULB-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.26
Rot. Bonds2

About 2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile

2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 155798318) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile
PubChem CID155798318
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile
SMILESCc1nc2c(c(N3CCN(c4nccc(C#N)n4)CC3)n1)CCC2
InChIInChI=1S/C17H19N7/c1-12-20-15-4-2-3-14(15)16(21-12)23-7-9-24(10-8-23)17-19-6-5-13(11-18)22-17/h5-6H,2-4,7-10H2,1H3
InChIKeyXDVUVXWEKDYULB-UHFFFAOYSA-N
XLogP1.26
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 133461061
2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]pyrimidine-4-carbonitrile
CID 155798340
4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460365
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545460
2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 171999793
2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107544517
2-(2-ethyl-1,4-oxazepan-4-yl)pyrimidine-4-carbonitrile
CID 114218412
7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 155798866
N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 155981005
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163343712

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile (CID 155798318) is 2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile is Cc1nc2c(c(N3CCN(c4nccc(C#N)n4)CC3)n1)CCC2.
What is the InChIKey of 2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is XDVUVXWEKDYULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-12-20-15-4-2-3-14(15)16(21-12)23-7-9-24(10-8-23)17-19-6-5-13(11-18)22-17/h5-6H,2-4,7-10H2,1H3.
What are the key properties of 2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile?
2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 321.39 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 155798318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).