2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one

C16H21N3O — CID 136974308

IUPAC2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(C)(C)c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H21N3O/c1-4-13-18-14(10-15(20)19-13)17-11-16(2,3)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyNQQZOBJHAVWVRA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.72
Rot. Bonds5

About 2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136974308) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136974308
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(C)(C)c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H21N3O/c1-4-13-18-14(10-15(20)19-13)17-11-16(2,3)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyNQQZOBJHAVWVRA-UHFFFAOYSA-N
XLogP2.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-phenylpropanoic acid
CID 136958764
4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136976280
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
2-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975306
4-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958484
4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one
CID 137273825
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972721
2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136976617
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
CID 136959105

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one (CID 136974308) is 2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one is CCc1nc(NCC(C)(C)c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NQQZOBJHAVWVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-13-18-14(10-15(20)19-13)17-11-16(2,3)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 271.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).