2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid

C15H18N4O2 — CID 122064930

IUPAC2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid
SMILESCc1cc(N(C)CC(C)C(=O)O)nc(-c2cccnc2)n1
InChIInChI=1S/C15H18N4O2/c1-10(15(20)21)9-19(3)13-7-11(2)17-14(18-13)12-5-4-6-16-8-12/h4-8,10H,9H2,1-3H3,(H,20,21)
InChIKeyBMXHSYKAEYUVOT-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.00
Rot. Bonds5

About 2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid

2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid (PubChem CID 122064930) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid
PubChem CID122064930
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid
SMILESCc1cc(N(C)CC(C)C(=O)O)nc(-c2cccnc2)n1
InChIInChI=1S/C15H18N4O2/c1-10(15(20)21)9-19(3)13-7-11(2)17-14(18-13)12-5-4-6-16-8-12/h4-8,10H,9H2,1-3H3,(H,20,21)
InChIKeyBMXHSYKAEYUVOT-UHFFFAOYSA-N
XLogP2.00
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanoic acid
CID 122064874
3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 122064846
N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 59340680
2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid
CID 122051516
N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 50983555
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
2-methyl-3-[methyl-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]propanoic acid
CID 122064954
2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid
CID 94077060
N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine
CID 99626812
N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584
(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 50977879

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid (CID 122064930) is 2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid is Cc1cc(N(C)CC(C)C(=O)O)nc(-c2cccnc2)n1.
What is the InChIKey of 2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid?
The InChIKey is BMXHSYKAEYUVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(15(20)21)9-19(3)13-7-11(2)17-14(18-13)12-5-4-6-16-8-12/h4-8,10H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid?
2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 122064930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).