4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine

C16H23ClN4 — CID 80972003

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H23ClN4/c1-11-14(17)18-15(12-4-5-12)19-16(11)21-9-6-13(10-21)20-7-2-3-8-20/h12-13H,2-10H2,1H3
InChIKeyGGMKFYMJSPCRCH-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.99
Rot. Bonds3

About 4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine (PubChem CID 80972003) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
PubChem CID80972003
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H23ClN4/c1-11-14(17)18-15(12-4-5-12)19-16(11)21-9-6-13(10-21)20-7-2-3-8-20/h12-13H,2-10H2,1H3
InChIKeyGGMKFYMJSPCRCH-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine
CID 80971295
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 80970597
4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine
CID 80972359
1-[4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80979741
4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 80971748
2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80980160
2-(6-chloro-4,5-dimethylpyridazin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925334
4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
CID 135154119
2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80985667
8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 80972608
5-bromo-4-chloro-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 114071741
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80986953

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine (CID 80972003) is 4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine is Cc1c(Cl)nc(C2CC2)nc1N1CCC(N2CCCC2)C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine?
The InChIKey is GGMKFYMJSPCRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-11-14(17)18-15(12-4-5-12)19-16(11)21-9-6-13(10-21)20-7-2-3-8-20/h12-13H,2-10H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine has a molecular weight of 306.84 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 80972003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).