(4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C20H25ClN4O — CID 1029621

IUPAC(4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(C)c(C(C)C)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C20H25ClN4O/c1-13(2)18-14(3)22-15(4)23-19(18)24-9-11-25(12-10-24)20(26)16-5-7-17(21)8-6-16/h5-8,13H,9-12H2,1-4H3
InChIKeyYJBMDIGCPFCAGC-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.83
Rot. Bonds3

About (4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 1029621) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID1029621
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name(4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(C)c(C(C)C)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C20H25ClN4O/c1-13(2)18-14(3)22-15(4)23-19(18)24-9-11-25(12-10-24)20(26)16-5-7-17(21)8-6-16/h5-8,13H,9-12H2,1-4H3
InChIKeyYJBMDIGCPFCAGC-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 1029621) is (4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(C)c(C(C)C)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of (4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is YJBMDIGCPFCAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-13(2)18-14(3)22-15(4)23-19(18)24-9-11-25(12-10-24)20(26)16-5-7-17(21)8-6-16/h5-8,13H,9-12H2,1-4H3.
What are the key properties of (4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 372.90 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 1029621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).