1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one

C15H21ClN4O — CID 59225337

IUPAC1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one
SMILESO=C1CCCCN1CCCNc1nc(Cl)ncc1C1CC1
InChIInChI=1S/C15H21ClN4O/c16-15-18-10-12(11-5-6-11)14(19-15)17-7-3-9-20-8-2-1-4-13(20)21/h10-11H,1-9H2,(H,17,18,19)
InChIKeyWFNAXOAOBXUFTF-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.82
Rot. Bonds6

About 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one

1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one (PubChem CID 59225337) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one
PubChem CID59225337
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one
SMILESO=C1CCCCN1CCCNc1nc(Cl)ncc1C1CC1
InChIInChI=1S/C15H21ClN4O/c16-15-18-10-12(11-5-6-11)14(19-15)17-7-3-9-20-8-2-1-4-13(20)21/h10-11H,1-9H2,(H,17,18,19)
InChIKeyWFNAXOAOBXUFTF-UHFFFAOYSA-N
XLogP2.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one?
The IUPAC name of 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one (CID 59225337) is 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one?
The canonical SMILES for 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one is O=C1CCCCN1CCCNc1nc(Cl)ncc1C1CC1.
What is the InChIKey of 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one?
The InChIKey is WFNAXOAOBXUFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c16-15-18-10-12(11-5-6-11)14(19-15)17-7-3-9-20-8-2-1-4-13(20)21/h10-11H,1-9H2,(H,17,18,19).
What are the key properties of 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one?
1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one has a molecular weight of 308.81 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-2-one is sourced from PubChem (CID 59225337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).