4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine

C15H23ClN4 — CID 80972359

IUPAC4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine
SMILESCCC1CN(c2nc(C3CC3)nc(Cl)c2C)CCN1C
InChIInChI=1S/C15H23ClN4/c1-4-12-9-20(8-7-19(12)3)15-10(2)13(16)17-14(18-15)11-5-6-11/h11-12H,4-9H2,1-3H3
InChIKeyWEUJPLCHGCUVIT-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.85
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine

4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine (PubChem CID 80972359) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine
PubChem CID80972359
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine
SMILESCCC1CN(c2nc(C3CC3)nc(Cl)c2C)CCN1C
InChIInChI=1S/C15H23ClN4/c1-4-12-9-20(8-7-19(12)3)15-10(2)13(16)17-14(18-15)11-5-6-11/h11-12H,4-9H2,1-3H3
InChIKeyWEUJPLCHGCUVIT-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983840
4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine
CID 80971295
4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 80972003
4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 80971748
6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 80834206
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine
CID 80970469
[6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80909718
6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 80968202
1-[4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80979741
2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80980160
6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80834116
8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 80972608

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine (CID 80972359) is 4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine is CCC1CN(c2nc(C3CC3)nc(Cl)c2C)CCN1C.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine?
The InChIKey is WEUJPLCHGCUVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-4-12-9-20(8-7-19(12)3)15-10(2)13(16)17-14(18-15)11-5-6-11/h11-12H,4-9H2,1-3H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine has a molecular weight of 294.83 g/mol, XLogP of 2.85, 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-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 80972359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).