2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one

C14H25N3O — CID 136750471

IUPAC2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(C(C)C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C14H25N3O/c1-6-12-16-13(7-14(18)17-12)15-8-11(9(2)3)10(4)5/h7,9-11H,6,8H2,1-5H3,(H2,15,16,17,18)
InChIKeyNQJYNBNBKQMMOZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.67
Rot. Bonds6

About 2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136750471) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136750471
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(C(C)C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C14H25N3O/c1-6-12-16-13(7-14(18)17-12)15-8-11(9(2)3)10(4)5/h7,9-11H,6,8H2,1-5H3,(H2,15,16,17,18)
InChIKeyNQJYNBNBKQMMOZ-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
2-propan-2-yl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 137016591
4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137273012
2-(Pentan-3-yl)-3,4-dihydropyrimidin-4-one
CID 62312550
4-(butylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818517
2-ethyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278155
2-ethyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136278156
2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176
4-(ethylamino)-2-propyl-1H-pyrimidin-6-one
CID 136278177
2-cyclopropyl-4-(methylamino)-1H-pyrimidin-6-one
CID 136294346
2-tert-butyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294347
4-(ethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136294348

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one (CID 136750471) is 2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one is CCc1nc(NCC(C(C)C)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NQJYNBNBKQMMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-12-16-13(7-14(18)17-12)15-8-11(9(2)3)10(4)5/h7,9-11H,6,8H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 251.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136750471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).