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

C14H19ClN4O — CID 59225331

IUPAC1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1nc(Cl)ncc1C1CC1
InChIInChI=1S/C14H19ClN4O/c15-14-17-9-11(10-4-5-10)13(18-14)16-6-2-8-19-7-1-3-12(19)20/h9-10H,1-8H2,(H,16,17,18)
InChIKeyNORYMWCHVORMEF-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.43
Rot. Bonds6

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

1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 59225331) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
PubChem CID59225331
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1nc(Cl)ncc1C1CC1
InChIInChI=1S/C14H19ClN4O/c15-14-17-9-11(10-4-5-10)13(18-14)16-6-2-8-19-7-1-3-12(19)20/h9-10H,1-8H2,(H,16,17,18)
InChIKeyNORYMWCHVORMEF-UHFFFAOYSA-N
XLogP2.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.43
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]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (CID 59225331) is 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNc1nc(Cl)ncc1C1CC1.
What is the InChIKey of 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is NORYMWCHVORMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c15-14-17-9-11(10-4-5-10)13(18-14)16-6-2-8-19-7-1-3-12(19)20/h9-10H,1-8H2,(H,16,17,18).
What are the key properties of 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 294.79 g/mol, XLogP of 2.43, 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]pyrrolidin-2-one is sourced from PubChem (CID 59225331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).