2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid

C12H18N4O2 — CID 115266537

IUPAC2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid
SMILESCc1nc(NC2CCC2)cc(NC(C)C(=O)O)n1
InChIInChI=1S/C12H18N4O2/c1-7(12(17)18)13-10-6-11(15-8(2)14-10)16-9-4-3-5-9/h6-7,9H,3-5H2,1-2H3,(H,17,18)(H2,13,14,15,16)
InChIKeyPDZYEVKRPUUGEJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.63
Rot. Bonds5

About 2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid

2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid (PubChem CID 115266537) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid
PubChem CID115266537
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid
SMILESCc1nc(NC2CCC2)cc(NC(C)C(=O)O)n1
InChIInChI=1S/C12H18N4O2/c1-7(12(17)18)13-10-6-11(15-8(2)14-10)16-9-4-3-5-9/h6-7,9H,3-5H2,1-2H3,(H,17,18)(H2,13,14,15,16)
InChIKeyPDZYEVKRPUUGEJ-UHFFFAOYSA-N
XLogP1.63
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one
CID 115266890
4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193209
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112868668
6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369260
4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112869040
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
1-[4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876052
4-N-cyclooctyl-2-methylpyrimidine-4,6-diamine
CID 80786651
methyl 4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112876057

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid?
The IUPAC name of 2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid (CID 115266537) is 2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid?
The canonical SMILES for 2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid is Cc1nc(NC2CCC2)cc(NC(C)C(=O)O)n1.
What is the InChIKey of 2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid?
The InChIKey is PDZYEVKRPUUGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7(12(17)18)13-10-6-11(15-8(2)14-10)16-9-4-3-5-9/h6-7,9H,3-5H2,1-2H3,(H,17,18)(H2,13,14,15,16).
What are the key properties of 2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid?
2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 115266537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).