6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid

C14H23N3O3 — CID 136959105

IUPAC6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
SMILESCCc1nc(NCCC(C)(C)CCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O3/c1-4-10-16-11(9-12(18)17-10)15-8-7-14(2,3)6-5-13(19)20/h9H,4-8H2,1-3H3,(H,19,20)(H2,15,16,17,18)
InChIKeyFKGVDDBPOHIIAR-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.03
Rot. Bonds8

About 6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid

6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid (PubChem CID 136959105) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
PubChem CID136959105
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
SMILESCCc1nc(NCCC(C)(C)CCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O3/c1-4-10-16-11(9-12(18)17-10)15-8-7-14(2,3)6-5-13(19)20/h9H,4-8H2,1-3H3,(H,19,20)(H2,15,16,17,18)
InChIKeyFKGVDDBPOHIIAR-UHFFFAOYSA-N
XLogP2.03
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid with MolForge

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Related Compounds

6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958362
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
ethyl 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136959024
4-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958484
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
CID 136976721
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
2-ethyl-4-(pent-4-ynylamino)-1H-pyrimidin-6-one
CID 136882486
6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
CID 66332096
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid (CID 136959105) is 6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid is CCc1nc(NCCC(C)(C)CCC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is FKGVDDBPOHIIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-10-16-11(9-12(18)17-10)15-8-7-14(2,3)6-5-13(19)20/h9H,4-8H2,1-3H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid?
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 281.36 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 136959105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).