4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine

C13H22N4 — CID 80790461

IUPAC4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCCC1CCCCC1
InChIInChI=1S/C13H22N4/c1-10-9-16-13(14)17-12(10)15-8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H3,14,15,16,17)
InChIKeyDCSKDOWIYBLVFM-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.75
Rot. Bonds4

About 4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine

4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 80790461) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine
PubChem CID80790461
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCCC1CCCCC1
InChIInChI=1S/C13H22N4/c1-10-9-16-13(14)17-12(10)15-8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H3,14,15,16,17)
InChIKeyDCSKDOWIYBLVFM-UHFFFAOYSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 80815292
5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80768940
5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80815623
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80836031
4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 106014954
5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811968
3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80849479
4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 72938000
5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 66904707
N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine
CID 114475372
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80843021
5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
CID 80784182

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine (CID 80790461) is 4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine is Cc1cnc(N)nc1NCCC1CCCCC1.
What is the InChIKey of 4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is DCSKDOWIYBLVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-9-16-13(14)17-12(10)15-8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine?
4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80790461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).