4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one

C15H17ClN4O — CID 136979346

IUPAC4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCN(Cc1cc(N)ccc1Cl)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H17ClN4O/c1-20(8-10-6-11(17)4-5-12(10)16)13-7-14(21)19-15(18-13)9-2-3-9/h4-7,9H,2-3,8,17H2,1H3,(H,18,19,21)
InChIKeyCQDYLKWYWRMEFJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.52
Rot. Bonds4

About 4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136979346) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136979346
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCN(Cc1cc(N)ccc1Cl)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H17ClN4O/c1-20(8-10-6-11(17)4-5-12(10)16)13-7-14(21)19-15(18-13)9-2-3-9/h4-7,9H,2-3,8,17H2,1H3,(H,18,19,21)
InChIKeyCQDYLKWYWRMEFJ-UHFFFAOYSA-N
XLogP2.52
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136979194
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 137009112
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007497
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 136958657
4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137009734
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518
4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 64829899
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
CID 136958564
N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 61240321
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 137007673
N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 61363949

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136979346) is 4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one is CN(Cc1cc(N)ccc1Cl)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is CQDYLKWYWRMEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-20(8-10-6-11(17)4-5-12(10)16)13-7-14(21)19-15(18-13)9-2-3-9/h4-7,9H,2-3,8,17H2,1H3,(H,18,19,21).
What are the key properties of 4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 304.78 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).