[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone

C20H23ClN4O — CID 133418346

IUPAC[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(c3cc(Cl)nc(C4CC4)n3)CC2)cc1
InChIInChI=1S/C20H23ClN4O/c1-2-14-3-5-16(6-4-14)20(26)25-11-9-24(10-12-25)18-13-17(21)22-19(23-18)15-7-8-15/h3-6,13,15H,2,7-12H2,1H3
InChIKeyNDBXAOQAUCKLCN-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.53
Rot. Bonds4

About [4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone

[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone (PubChem CID 133418346) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is [4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
PubChem CID133418346
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(c3cc(Cl)nc(C4CC4)n3)CC2)cc1
InChIInChI=1S/C20H23ClN4O/c1-2-14-3-5-16(6-4-14)20(26)25-11-9-24(10-12-25)18-13-17(21)22-19(23-18)15-7-8-15/h3-6,13,15H,2,7-12H2,1H3
InChIKeyNDBXAOQAUCKLCN-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 133433503
ethyl 6-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxylate
CID 133418211
1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 75396545
(4-ethylphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699890
[4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 4593645
[4-[[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42754423
[4-[[4-chloro-6-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 5240089
[4-[[4-chloro-6-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 42765119
ethyl 4-[4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate
CID 5135578
[4-[[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-ylmethanone
CID 5023451
[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
CID 31537716
N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide
CID 133418654

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone (CID 133418346) is [4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCN(c3cc(Cl)nc(C4CC4)n3)CC2)cc1.
What is the InChIKey of [4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The InChIKey is NDBXAOQAUCKLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-2-14-3-5-16(6-4-14)20(26)25-11-9-24(10-12-25)18-13-17(21)22-19(23-18)15-7-8-15/h3-6,13,15H,2,7-12H2,1H3.
What are the key properties of [4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone has a molecular weight of 370.88 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 133418346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).