3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid

C12H17N3O2 — CID 61236046

IUPAC3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid
SMILESCCc1cc(N(CCC(=O)O)C2CC2)ncn1
InChIInChI=1S/C12H17N3O2/c1-2-9-7-11(14-8-13-9)15(10-3-4-10)6-5-12(16)17/h7-8,10H,2-6H2,1H3,(H,16,17)
InChIKeyBVKFRDKOROPOFD-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.48
Rot. Bonds6

About 3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid

3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid (PubChem CID 61236046) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid
PubChem CID61236046
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid
SMILESCCc1cc(N(CCC(=O)O)C2CC2)ncn1
InChIInChI=1S/C12H17N3O2/c1-2-9-7-11(14-8-13-9)15(10-3-4-10)6-5-12(16)17/h7-8,10H,2-6H2,1H3,(H,16,17)
InChIKeyBVKFRDKOROPOFD-UHFFFAOYSA-N
XLogP1.48
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid
CID 62961345
N-cyclopropyl-6-ethyl-N-methylpyrimidin-4-amine
CID 131155760
N-(2-bromoethyl)-N-cyclopropyl-6-propylpyrimidin-4-amine
CID 80666920
2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid
CID 61235699
2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid
CID 106972190
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine
CID 61239551
methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955735
6-ethyl-N-(4-methoxycyclohexyl)-N-methylpyrimidin-4-amine
CID 144655365
ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate
CID 62005021
N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine
CID 102871599
N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine
CID 63388833
N-(azetidin-3-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66183125

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid (CID 61236046) is 3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid is CCc1cc(N(CCC(=O)O)C2CC2)ncn1.
What is the InChIKey of 3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid?
The InChIKey is BVKFRDKOROPOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-9-7-11(14-8-13-9)15(10-3-4-10)6-5-12(16)17/h7-8,10H,2-6H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid?
3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid has a molecular weight of 235.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 61236046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).