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

C14H18N4O — CID 136972726

IUPAC4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(Cc1ccccc1CN)c1cc(=O)[nH]cn1
InChIInChI=1S/C14H18N4O/c1-2-18(13-7-14(19)17-10-16-13)9-12-6-4-3-5-11(12)8-15/h3-7,10H,2,8-9,15H2,1H3,(H,16,17,19)
InChIKeyLRDHVNKNBFKXES-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.26
Rot. Bonds5

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

4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one (PubChem CID 136972726) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one
PubChem CID136972726
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(Cc1ccccc1CN)c1cc(=O)[nH]cn1
InChIInChI=1S/C14H18N4O/c1-2-18(13-7-14(19)17-10-16-13)9-12-6-4-3-5-11(12)8-15/h3-7,10H,2,8-9,15H2,1H3,(H,16,17,19)
InChIKeyLRDHVNKNBFKXES-UHFFFAOYSA-N
XLogP1.26
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one (CID 136972726) is 4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one is CCN(Cc1ccccc1CN)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one?
The InChIKey is LRDHVNKNBFKXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-18(13-7-14(19)17-10-16-13)9-12-6-4-3-5-11(12)8-15/h3-7,10H,2,8-9,15H2,1H3,(H,16,17,19).
What are the key properties of 4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one?
4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 1.26, 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-ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136972726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).