1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one

C16H24N4O — CID 110271687

IUPAC1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC1c1cc(NC2CCCC2)nc(C)n1
InChIInChI=1S/C16H24N4O/c1-3-16(21)20-9-8-14(20)13-10-15(18-11(2)17-13)19-12-6-4-5-7-12/h10,12,14H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyBCBVSQSGWPZRSW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.82
Rot. Bonds4

About 1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one

1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one (PubChem CID 110271687) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one
PubChem CID110271687
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC1c1cc(NC2CCCC2)nc(C)n1
InChIInChI=1S/C16H24N4O/c1-3-16(21)20-9-8-14(20)13-10-15(18-11(2)17-13)19-12-6-4-5-7-12/h10,12,14H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyBCBVSQSGWPZRSW-UHFFFAOYSA-N
XLogP2.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one (CID 110271687) is 1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one is CCC(=O)N1CCC1c1cc(NC2CCCC2)nc(C)n1.
What is the InChIKey of 1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one?
The InChIKey is BCBVSQSGWPZRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-16(21)20-9-8-14(20)13-10-15(18-11(2)17-13)19-12-6-4-5-7-12/h10,12,14H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one?
1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 110271687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).