3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid

C16H20N4O2 — CID 122064846

IUPAC3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
SMILESCc1nc(-c2cccnc2)nc(N(C)CC(C)C(=O)O)c1C
InChIInChI=1S/C16H20N4O2/c1-10(16(21)22)9-20(4)15-11(2)12(3)18-14(19-15)13-6-5-7-17-8-13/h5-8,10H,9H2,1-4H3,(H,21,22)
InChIKeyQNZQPLJTQSMYIC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.31
Rot. Bonds5

About 3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid

3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid (PubChem CID 122064846) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
PubChem CID122064846
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
SMILESCc1nc(-c2cccnc2)nc(N(C)CC(C)C(=O)O)c1C
InChIInChI=1S/C16H20N4O2/c1-10(16(21)22)9-20(4)15-11(2)12(3)18-14(19-15)13-6-5-7-17-8-13/h5-8,10H,9H2,1-4H3,(H,21,22)
InChIKeyQNZQPLJTQSMYIC-UHFFFAOYSA-N
XLogP2.31
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid
CID 122064930
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-methyl-3-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanoic acid
CID 122064874
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133319393
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid
CID 166237581
2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 86794201
(2S)-2-methyl-3-[methyl-(5-phenylpyrimidin-4-yl)amino]propanoic acid
CID 164637169
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol
CID 166190654
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 166186006
3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide
CID 137469993
3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325449

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid (CID 122064846) is 3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid is Cc1nc(-c2cccnc2)nc(N(C)CC(C)C(=O)O)c1C.
What is the InChIKey of 3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid?
The InChIKey is QNZQPLJTQSMYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10(16(21)22)9-20(4)15-11(2)12(3)18-14(19-15)13-6-5-7-17-8-13/h5-8,10H,9H2,1-4H3,(H,21,22).
What are the key properties of 3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid?
3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122064846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).