2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid

C12H18N4O2 — CID 115264300

IUPAC2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1cc(NC2CCC2)ncn1)C(=O)O
InChIInChI=1S/C12H18N4O2/c1-12(2,11(17)18)16-10-6-9(13-7-14-10)15-8-4-3-5-8/h6-8H,3-5H2,1-2H3,(H,17,18)(H2,13,14,15,16)
InChIKeyRLADVEVPUYNKQF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.72
Rot. Bonds5

About 2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid

2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid (PubChem CID 115264300) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid
PubChem CID115264300
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1cc(NC2CCC2)ncn1)C(=O)O
InChIInChI=1S/C12H18N4O2/c1-12(2,11(17)18)16-10-6-9(13-7-14-10)15-8-4-3-5-8/h6-8H,3-5H2,1-2H3,(H,17,18)(H2,13,14,15,16)
InChIKeyRLADVEVPUYNKQF-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 83838273
4-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 115265146
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
CID 126724613
6-tert-butyl-N-cyclopropylpyrimidin-4-amine
CID 126849020
2-[6-[(4-tert-butylcyclohexyl)amino]pyrimidin-4-yl]acetic acid
CID 22097386
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
1-[[6-(oxan-4-ylamino)pyrimidin-4-yl]amino]propan-2-one
CID 115265033
[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone
CID 118546922
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid (CID 115264300) is 2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid is CC(C)(Nc1cc(NC2CCC2)ncn1)C(=O)O.
What is the InChIKey of 2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid?
The InChIKey is RLADVEVPUYNKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,11(17)18)16-10-6-9(13-7-14-10)15-8-4-3-5-8/h6-8H,3-5H2,1-2H3,(H,17,18)(H2,13,14,15,16).
What are the key properties of 2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid?
2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 115264300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).