2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid

C17H22N4O3 — CID 137061342

IUPAC2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid
SMILESCc1nc(-c2ccc(NC(CC(C)C)C(=O)O)nc2)[nH]c(=O)c1C
InChIInChI=1S/C17H22N4O3/c1-9(2)7-13(17(23)24)20-14-6-5-12(8-18-14)15-19-11(4)10(3)16(22)21-15/h5-6,8-9,13H,7H2,1-4H3,(H,18,20)(H,23,24)(H,19,21,22)
InChIKeyKFNDWEJOPPSTHP-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.36
Rot. Bonds6

About 2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid

2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid (PubChem CID 137061342) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid
PubChem CID137061342
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid
SMILESCc1nc(-c2ccc(NC(CC(C)C)C(=O)O)nc2)[nH]c(=O)c1C
InChIInChI=1S/C17H22N4O3/c1-9(2)7-13(17(23)24)20-14-6-5-12(8-18-14)15-19-11(4)10(3)16(22)21-15/h5-6,8-9,13H,7H2,1-4H3,(H,18,20)(H,23,24)(H,19,21,22)
InChIKeyKFNDWEJOPPSTHP-UHFFFAOYSA-N
XLogP2.36
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 137098069
4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137262944
2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275234
2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273705
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579
4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
CID 137274775
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122050028
2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273786
2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269550
2-[6-[(2-hydroxycyclopentyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275514
4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264925
2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275396

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid (CID 137061342) is 2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid is Cc1nc(-c2ccc(NC(CC(C)C)C(=O)O)nc2)[nH]c(=O)c1C.
What is the InChIKey of 2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid?
The InChIKey is KFNDWEJOPPSTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-9(2)7-13(17(23)24)20-14-6-5-12(8-18-14)15-19-11(4)10(3)16(22)21-15/h5-6,8-9,13H,7H2,1-4H3,(H,18,20)(H,23,24)(H,19,21,22).
What are the key properties of 2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid?
2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid has a molecular weight of 330.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 137061342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).