3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid

C12H17N3O2 — CID 83841920

IUPAC3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
SMILESCc1nc(C2CC2)cc(N(C)CCC(=O)O)n1
InChIInChI=1S/C12H17N3O2/c1-8-13-10(9-3-4-9)7-11(14-8)15(2)6-5-12(16)17/h7,9H,3-6H2,1-2H3,(H,16,17)
InChIKeyOEXRIWCPHPLQTN-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.57
Rot. Bonds5

About 3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid

3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid (PubChem CID 83841920) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
PubChem CID83841920
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
SMILESCc1nc(C2CC2)cc(N(C)CCC(=O)O)n1
InChIInChI=1S/C12H17N3O2/c1-8-13-10(9-3-4-9)7-11(14-8)15(2)6-5-12(16)17/h7,9H,3-6H2,1-2H3,(H,16,17)
InChIKeyOEXRIWCPHPLQTN-UHFFFAOYSA-N
XLogP1.57
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119064787
N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide
CID 145081276
3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid
CID 114474321
4-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]butanoic acid
CID 66331682
3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 66509805
2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
CID 83833677
3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 91766904
2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol
CID 95846639
4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid
CID 116973746
6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid
CID 83822396
3-[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]propanoic acid
CID 122059415
[2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid
CID 172645170

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid?
The IUPAC name of 3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid (CID 83841920) is 3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid is Cc1nc(C2CC2)cc(N(C)CCC(=O)O)n1.
What is the InChIKey of 3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid?
The InChIKey is OEXRIWCPHPLQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-13-10(9-3-4-9)7-11(14-8)15(2)6-5-12(16)17/h7,9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid?
3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid has a molecular weight of 235.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid is sourced from PubChem (CID 83841920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).