4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one

C16H20N4O — CID 136979257

IUPAC4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(Cc2ccc(N)cc2)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C16H20N4O/c1-2-14-18-15(9-16(21)19-14)20(13-7-8-13)10-11-3-5-12(17)6-4-11/h3-6,9,13H,2,7-8,10,17H2,1H3,(H,18,19,21)
InChIKeyUTLUKSPRAFEUQF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.08
Rot. Bonds5

About 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one

4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136979257) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136979257
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(Cc2ccc(N)cc2)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C16H20N4O/c1-2-14-18-15(9-16(21)19-14)20(13-7-8-13)10-11-3-5-12(17)6-4-11/h3-6,9,13H,2,7-8,10,17H2,1H3,(H,18,19,21)
InChIKeyUTLUKSPRAFEUQF-UHFFFAOYSA-N
XLogP2.08
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979223
4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136978638
4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136964631
2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978140
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
4-[[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]methyl]benzoic acid
CID 136958553
4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979137
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine
CID 63149802
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979289
N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine
CID 104606437

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136979257) is 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(Cc2ccc(N)cc2)C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is UTLUKSPRAFEUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-14-18-15(9-16(21)19-14)20(13-7-8-13)10-11-3-5-12(17)6-4-11/h3-6,9,13H,2,7-8,10,17H2,1H3,(H,18,19,21).
What are the key properties of 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).