4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine

C16H25ClN4 — CID 80971748

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C16H25ClN4/c1-11(2)10-20-6-8-21(9-7-20)16-12(3)14(17)18-15(19-16)13-4-5-13/h11,13H,4-10H2,1-3H3
InChIKeyWLRVJTADZULFHE-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.09
Rot. Bonds4

About 4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine (PubChem CID 80971748) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
PubChem CID80971748
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C16H25ClN4/c1-11(2)10-20-6-8-21(9-7-20)16-12(3)14(17)18-15(19-16)13-4-5-13/h11,13H,4-10H2,1-3H3
InChIKeyWLRVJTADZULFHE-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.09
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
1-[4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80979741
4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine
CID 80972359
2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80980160
4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 80972003
4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
CID 135154119
6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80971665
2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80993174
4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine
CID 80978334
4-chloro-2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-5-carbaldehyde
CID 80733170
6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 113259067
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80974333

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine (CID 80971748) is 4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine is Cc1c(Cl)nc(C2CC2)nc1N1CCN(CC(C)C)CC1.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine?
The InChIKey is WLRVJTADZULFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-11(2)10-20-6-8-21(9-7-20)16-12(3)14(17)18-15(19-16)13-4-5-13/h11,13H,4-10H2,1-3H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine has a molecular weight of 308.86 g/mol, XLogP of 3.09, 4 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-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 80971748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).