2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one

C14H18N4O — CID 136976617

IUPAC2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCc2ncccc2CC)cc(=O)[nH]1
InChIInChI=1S/C14H18N4O/c1-3-10-6-5-7-15-11(10)9-16-13-8-14(19)18-12(4-2)17-13/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyCQAZHKXOGWMXDQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.90
Rot. Bonds5

About 2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one

2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976617) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976617
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCc2ncccc2CC)cc(=O)[nH]1
InChIInChI=1S/C14H18N4O/c1-3-10-6-5-7-15-11(10)9-16-13-8-14(19)18-12(4-2)17-13/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyCQAZHKXOGWMXDQ-UHFFFAOYSA-N
XLogP1.90
TPSA70.67 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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136975975
2-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975306
2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 82746668
4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972721
N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 82739374
4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 82751429
6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 82748226
7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 82740487
2-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975649
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one
CID 136974308
4-[(3-bromothiophen-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136976445

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one (CID 136976617) is 2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one is CCc1nc(NCc2ncccc2CC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is CQAZHKXOGWMXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-10-6-5-7-15-11(10)9-16-13-8-14(19)18-12(4-2)17-13/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).