3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol

C14H23N3O — CID 56870630

IUPAC3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCc1cc(C2CCC2)nc(NCC(C)(C)CO)n1
InChIInChI=1S/C14H23N3O/c1-10-7-12(11-5-4-6-11)17-13(16-10)15-8-14(2,3)9-18/h7,11,18H,4-6,8-9H2,1-3H3,(H,15,16,17)
InChIKeyLRQWKQOZRMMPNL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.48
Rot. Bonds5

About 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol

3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 56870630) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID56870630
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCc1cc(C2CCC2)nc(NCC(C)(C)CO)n1
InChIInChI=1S/C14H23N3O/c1-10-7-12(11-5-4-6-11)17-13(16-10)15-8-14(2,3)9-18/h7,11,18H,4-6,8-9H2,1-3H3,(H,15,16,17)
InChIKeyLRQWKQOZRMMPNL-UHFFFAOYSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol (CID 56870630) is 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol is Cc1cc(C2CCC2)nc(NCC(C)(C)CO)n1.
What is the InChIKey of 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is LRQWKQOZRMMPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-7-12(11-5-4-6-11)17-13(16-10)15-8-14(2,3)9-18/h7,11,18H,4-6,8-9H2,1-3H3,(H,15,16,17).
What are the key properties of 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 56870630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).