N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine

C15H26N4 — CID 117212520

IUPACN'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine
SMILESCc1nc(C2CCCCC2)nc(C)c1NCCCN
InChIInChI=1S/C15H26N4/c1-11-14(17-10-6-9-16)12(2)19-15(18-11)13-7-4-3-5-8-13/h13,17H,3-10,16H2,1-2H3
InChIKeyYULKTEQVPINJPO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.90
Rot. Bonds5

About N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine

N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine (PubChem CID 117212520) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine
PubChem CID117212520
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine
SMILESCc1nc(C2CCCCC2)nc(C)c1NCCCN
InChIInChI=1S/C15H26N4/c1-11-14(17-10-6-9-16)12(2)19-15(18-11)13-7-4-3-5-8-13/h13,17H,3-10,16H2,1-2H3
InChIKeyYULKTEQVPINJPO-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212541
(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 62744554
N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine
CID 117211607
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618
N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine
CID 117209803
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 65399429
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 65399366
N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine
CID 62745997
N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine
CID 117211459
(2-cyclohexyl-4-methylpyrimidin-5-yl)methanamine
CID 82506978
2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol
CID 115069783

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine (CID 117212520) is N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine is Cc1nc(C2CCCCC2)nc(C)c1NCCCN.
What is the InChIKey of N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine?
The InChIKey is YULKTEQVPINJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11-14(17-10-6-9-16)12(2)19-15(18-11)13-7-4-3-5-8-13/h13,17H,3-10,16H2,1-2H3.
What are the key properties of N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine?
N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine is sourced from PubChem (CID 117212520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).