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

C15H21ClN4O — CID 56821165

IUPAC(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C15H21ClN4O/c1-10(2)14-17-9-12(16)13(18-14)15(21)20-7-5-19(6-8-20)11-3-4-11/h9-11H,3-8H2,1-2H3
InChIKeyBPAATGCRQGPJFH-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.17
Rot. Bonds3

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

(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 56821165) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID56821165
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C15H21ClN4O/c1-10(2)14-17-9-12(16)13(18-14)15(21)20-7-5-19(6-8-20)11-3-4-11/h9-11H,3-8H2,1-2H3
InChIKeyBPAATGCRQGPJFH-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.17
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-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone (CID 56821165) is (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone is CC(C)c1ncc(Cl)c(C(=O)N2CCN(C3CC3)CC2)n1.
What is the InChIKey of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is BPAATGCRQGPJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-10(2)14-17-9-12(16)13(18-14)15(21)20-7-5-19(6-8-20)11-3-4-11/h9-11H,3-8H2,1-2H3.
What are the key properties of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 308.81 g/mol, XLogP of 2.17, 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-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 56821165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).