5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine

C13H21ClN4 — CID 114049775

IUPAC5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
SMILESCC1CCC(CCNc2ncnc(N)c2Cl)CC1
InChIInChI=1S/C13H21ClN4/c1-9-2-4-10(5-3-9)6-7-16-13-11(14)12(15)17-8-18-13/h8-10H,2-7H2,1H3,(H3,15,16,17,18)
InChIKeyUKZDWQCQDVBUPG-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.34
Rot. Bonds4

About 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine

5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 114049775) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
PubChem CID114049775
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
SMILESCC1CCC(CCNc2ncnc(N)c2Cl)CC1
InChIInChI=1S/C13H21ClN4/c1-9-2-4-10(5-3-9)6-7-16-13-11(14)12(15)17-8-18-13/h8-10H,2-7H2,1H3,(H3,15,16,17,18)
InChIKeyUKZDWQCQDVBUPG-UHFFFAOYSA-N
XLogP3.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine
CID 106812243
5-chloro-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-4,6-diamine
CID 114049894
5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106811786
6-hydrazinyl-5-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 80913396
3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine
CID 114046232
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80836031
6-hydrazinyl-N-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 80906560
5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975879
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine (CID 114049775) is 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine is CC1CCC(CCNc2ncnc(N)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is UKZDWQCQDVBUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-9-2-4-10(5-3-9)6-7-16-13-11(14)12(15)17-8-18-13/h8-10H,2-7H2,1H3,(H3,15,16,17,18).
What are the key properties of 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 268.79 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114049775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).