2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine

C13H21ClN4 — CID 114043517

IUPAC2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine
SMILESCCN(c1nc(Cl)nc(C)c1N)C1CCCCC1
InChIInChI=1S/C13H21ClN4/c1-3-18(10-7-5-4-6-8-10)12-11(15)9(2)16-13(14)17-12/h10H,3-8,15H2,1-2H3
InChIKeyOVJMNCFCKPABKY-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.18
Rot. Bonds3

About 2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine

2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine (PubChem CID 114043517) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine
PubChem CID114043517
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine
SMILESCCN(c1nc(Cl)nc(C)c1N)C1CCCCC1
InChIInChI=1S/C13H21ClN4/c1-3-18(10-7-5-4-6-8-10)12-11(15)9(2)16-13(14)17-12/h10H,3-8,15H2,1-2H3
InChIKeyOVJMNCFCKPABKY-UHFFFAOYSA-N
XLogP3.18
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine (CID 114043517) is 2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine is CCN(c1nc(Cl)nc(C)c1N)C1CCCCC1.
What is the InChIKey of 2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine?
The InChIKey is OVJMNCFCKPABKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-3-18(10-7-5-4-6-8-10)12-11(15)9(2)16-13(14)17-12/h10H,3-8,15H2,1-2H3.
What are the key properties of 2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine?
2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine has a molecular weight of 268.79 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-cyclohexyl-4-N-ethyl-6-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 114043517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).