3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine

C15H25N3 — CID 112754319

IUPAC3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(CC2CCC2)nc(C)c1CC(C)CN
InChIInChI=1S/C15H25N3/c1-10(9-16)7-14-11(2)17-15(18-12(14)3)8-13-5-4-6-13/h10,13H,4-9,16H2,1-3H3
InChIKeyVUWHLPFRVWQRRR-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.57
Rot. Bonds5

About 3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine

3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine (PubChem CID 112754319) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
PubChem CID112754319
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(CC2CCC2)nc(C)c1CC(C)CN
InChIInChI=1S/C15H25N3/c1-10(9-16)7-14-11(2)17-15(18-12(14)3)8-13-5-4-6-13/h10,13H,4-9,16H2,1-3H3
InChIKeyVUWHLPFRVWQRRR-UHFFFAOYSA-N
XLogP2.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine (CID 112754319) is 3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine is Cc1nc(CC2CCC2)nc(C)c1CC(C)CN.
What is the InChIKey of 3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
The InChIKey is VUWHLPFRVWQRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-10(9-16)7-14-11(2)17-15(18-12(14)3)8-13-5-4-6-13/h10,13H,4-9,16H2,1-3H3.
What are the key properties of 3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine?
3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclobutylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 112754319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).