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

C15H26N4 — CID 116974590

IUPAC3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine
SMILESCC(C)(CCN)Nc1ncc(C2CCCCC2)cn1
InChIInChI=1S/C15H26N4/c1-15(2,8-9-16)19-14-17-10-13(11-18-14)12-6-4-3-5-7-12/h10-12H,3-9,16H2,1-2H3,(H,17,18,19)
InChIKeyPVXHHOFAAHACGP-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.06
Rot. Bonds5

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

3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine (PubChem CID 116974590) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine
PubChem CID116974590
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine
SMILESCC(C)(CCN)Nc1ncc(C2CCCCC2)cn1
InChIInChI=1S/C15H26N4/c1-15(2,8-9-16)19-14-17-10-13(11-18-14)12-6-4-3-5-7-12/h10-12H,3-9,16H2,1-2H3,(H,17,18,19)
InChIKeyPVXHHOFAAHACGP-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine
CID 116974637
methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate
CID 116975801
(5-cyclohexylpyrimidin-2-yl)methanamine
CID 83697989
5-cyclopentyl-N-propan-2-ylpyrimidin-2-amine
CID 116977251
5-cyclohexyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974804
5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine
CID 65300733
3-[(5-cyclohexylpyrimidin-2-yl)amino]butanoic acid
CID 116975261
3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974501
5-cyclohexyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116974757
2-[(5-cyclohexylpyrimidin-2-yl)amino]propanoic acid
CID 116975237
N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine
CID 116974942
8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane
CID 155739639

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine (CID 116974590) is 3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine is CC(C)(CCN)Nc1ncc(C2CCCCC2)cn1.
What is the InChIKey of 3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine?
The InChIKey is PVXHHOFAAHACGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-15(2,8-9-16)19-14-17-10-13(11-18-14)12-6-4-3-5-7-12/h10-12H,3-9,16H2,1-2H3,(H,17,18,19).
What are the key properties of 3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine?
3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 116974590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).