(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid

C16H20N4O3 — CID 137098081

IUPAC(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid
SMILESCCc1cc(=O)[nH]c(-c2ccc(N[C@@H](C(=O)O)C(C)C)nc2)n1
InChIInChI=1S/C16H20N4O3/c1-4-11-7-13(21)20-15(18-11)10-5-6-12(17-8-10)19-14(9(2)3)16(22)23/h5-9,14H,4H2,1-3H3,(H,17,19)(H,22,23)(H,18,20,21)/t14-/m1/s1
InChIKeyQCZALNJRPARWNU-CQSZACIVSA-N
MW316.36 g/mol
LogP1.92
Rot. Bonds6

About (2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid

(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid (PubChem CID 137098081) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid
PubChem CID137098081
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid
SMILESCCc1cc(=O)[nH]c(-c2ccc(N[C@@H](C(=O)O)C(C)C)nc2)n1
InChIInChI=1S/C16H20N4O3/c1-4-11-7-13(21)20-15(18-11)10-5-6-12(17-8-10)19-14(9(2)3)16(22)23/h5-9,14H,4H2,1-3H3,(H,17,19)(H,22,23)(H,18,20,21)/t14-/m1/s1
InChIKeyQCZALNJRPARWNU-CQSZACIVSA-N
XLogP1.92
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic 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
2-[6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271947
3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 137098040
2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136528513
4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268262
2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137257636
4-ethyl-2-[6-[(3-hydroxy-3-phenylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267445
2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 167837262
4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267408
4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268356
2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137258212
2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268792

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid (CID 137098081) is (2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid is CCc1cc(=O)[nH]c(-c2ccc(N[C@@H](C(=O)O)C(C)C)nc2)n1.
What is the InChIKey of (2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid?
The InChIKey is QCZALNJRPARWNU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-4-11-7-13(21)20-15(18-11)10-5-6-12(17-8-10)19-14(9(2)3)16(22)23/h5-9,14H,4H2,1-3H3,(H,17,19)(H,22,23)(H,18,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid?
(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid has a molecular weight of 316.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 137098081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).