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

C14H20ClN5O — CID 59225241

IUPAC1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CCCNc2nc(Cl)ncc2C2CC2)C1=O
InChIInChI=1S/C14H20ClN5O/c1-19-7-8-20(14(19)21)6-2-5-16-12-11(10-3-4-10)9-17-13(15)18-12/h9-10H,2-8H2,1H3,(H,16,17,18)
InChIKeySUJPAMSDDWIRHD-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.18
Rot. Bonds6

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

1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one (PubChem CID 59225241) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one
PubChem CID59225241
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CCCNc2nc(Cl)ncc2C2CC2)C1=O
InChIInChI=1S/C14H20ClN5O/c1-19-7-8-20(14(19)21)6-2-5-16-12-11(10-3-4-10)9-17-13(15)18-12/h9-10H,2-8H2,1H3,(H,16,17,18)
InChIKeySUJPAMSDDWIRHD-UHFFFAOYSA-N
XLogP2.18
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.18
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]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one (CID 59225241) is 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one is CN1CCN(CCCNc2nc(Cl)ncc2C2CC2)C1=O.
What is the InChIKey of 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one?
The InChIKey is SUJPAMSDDWIRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-19-7-8-20(14(19)21)6-2-5-16-12-11(10-3-4-10)9-17-13(15)18-12/h9-10H,2-8H2,1H3,(H,16,17,18).
What are the key properties of 1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one?
1-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one has a molecular weight of 309.80 g/mol, XLogP of 2.18, 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]-3-methylimidazolidin-2-one is sourced from PubChem (CID 59225241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).