4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one

C15H20N4O — CID 136972739

IUPAC4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)Cc2ccccc2CN)cc(=O)[nH]1
InChIInChI=1S/C15H20N4O/c1-3-13-17-14(8-15(20)18-13)19(2)10-12-7-5-4-6-11(12)9-16/h4-8H,3,9-10,16H2,1-2H3,(H,17,18,20)
InChIKeyGRVIGSZRAPWISB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.43
Rot. Bonds5

About 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one

4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136972739) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136972739
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)Cc2ccccc2CN)cc(=O)[nH]1
InChIInChI=1S/C15H20N4O/c1-3-13-17-14(8-15(20)18-13)19(2)10-12-7-5-4-6-11(12)9-16/h4-8H,3,9-10,16H2,1-2H3,(H,17,18,20)
InChIKeyGRVIGSZRAPWISB-UHFFFAOYSA-N
XLogP1.43
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979289
4-[[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]methyl]benzoic acid
CID 136958553
4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one
CID 137008361
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009852
2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136989602
4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136989504
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanethioamide
CID 136973145
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridin-2-amine
CID 60921940
4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979137
4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one
CID 136972726

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136972739) is 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(C)Cc2ccccc2CN)cc(=O)[nH]1.
What is the InChIKey of 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is GRVIGSZRAPWISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13-17-14(8-15(20)18-13)19(2)10-12-7-5-4-6-11(12)9-16/h4-8H,3,9-10,16H2,1-2H3,(H,17,18,20).
What are the key properties of 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 272.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136972739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).