1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine

C13H22N4 — CID 116974637

IUPAC1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine
SMILESCC(C)(N)CCNc1ncc(C2CCC2)cn1
InChIInChI=1S/C13H22N4/c1-13(2,14)6-7-15-12-16-8-11(9-17-12)10-4-3-5-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyOLMBRPUDWVVCIN-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.28
Rot. Bonds5

About 1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine

1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine (PubChem CID 116974637) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine
PubChem CID116974637
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine
SMILESCC(C)(N)CCNc1ncc(C2CCC2)cn1
InChIInChI=1S/C13H22N4/c1-13(2,14)6-7-15-12-16-8-11(9-17-12)10-4-3-5-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyOLMBRPUDWVVCIN-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine?
The IUPAC name of 1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine (CID 116974637) is 1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine is CC(C)(N)CCNc1ncc(C2CCC2)cn1.
What is the InChIKey of 1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine?
The InChIKey is OLMBRPUDWVVCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(2,14)6-7-15-12-16-8-11(9-17-12)10-4-3-5-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine?
1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 116974637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).