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

C14H18N4O — CID 136972721

IUPAC4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCc2ccc(CN)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H18N4O/c1-2-12-17-13(7-14(19)18-12)16-9-11-5-3-10(8-15)4-6-11/h3-7H,2,8-9,15H2,1H3,(H2,16,17,18,19)
InChIKeyDQXPGZKAPZTMPW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.40
Rot. Bonds5

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

4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136972721) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136972721
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCc2ccc(CN)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H18N4O/c1-2-12-17-13(7-14(19)18-12)16-9-11-5-3-10(8-15)4-6-11/h3-7H,2,8-9,15H2,1H3,(H2,16,17,18,19)
InChIKeyDQXPGZKAPZTMPW-UHFFFAOYSA-N
XLogP1.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975306
4-[(3-chloro-4-fluorophenyl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136975453
4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136989527
2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136975975
2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136976617
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 137008661
4-[(3-bromothiophen-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136976445
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one
CID 137008361
4-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958484
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136972721) is 4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NCc2ccc(CN)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is DQXPGZKAPZTMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-12-17-13(7-14(19)18-12)16-9-11-5-3-10(8-15)4-6-11/h3-7H,2,8-9,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136972721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).