(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone

C17H25ClN4O — CID 56821074

IUPAC(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C17H25ClN4O/c1-12(2)16-19-11-14(18)15(20-16)17(23)22-9-7-21(8-10-22)13-5-3-4-6-13/h11-13H,3-10H2,1-2H3
InChIKeyLUUUNMDTGNCHQO-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.95
Rot. Bonds3

About (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone

(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 56821074) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID56821074
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C17H25ClN4O/c1-12(2)16-19-11-14(18)15(20-16)17(23)22-9-7-21(8-10-22)13-5-3-4-6-13/h11-13H,3-10H2,1-2H3
InChIKeyLUUUNMDTGNCHQO-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone (CID 56821074) is (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone is CC(C)c1ncc(Cl)c(C(=O)N2CCN(C3CCCC3)CC2)n1.
What is the InChIKey of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is LUUUNMDTGNCHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O/c1-12(2)16-19-11-14(18)15(20-16)17(23)22-9-7-21(8-10-22)13-5-3-4-6-13/h11-13H,3-10H2,1-2H3.
What are the key properties of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone?
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 336.87 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 56821074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).