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

C11H17ClN4 — CID 46633282

IUPAC6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
SMILESCN(c1cc(Cl)nc(N)n1)C1CCCCC1
InChIInChI=1S/C11H17ClN4/c1-16(8-5-3-2-4-6-8)10-7-9(12)14-11(13)15-10/h7-8H,2-6H2,1H3,(H2,13,14,15)
InChIKeyXBGDGQALCOEQMI-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.48
Rot. Bonds2

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

6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 46633282) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID46633282
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
SMILESCN(c1cc(Cl)nc(N)n1)C1CCCCC1
InChIInChI=1S/C11H17ClN4/c1-16(8-5-3-2-4-6-8)10-7-9(12)14-11(13)15-10/h7-8H,2-6H2,1H3,(H2,13,14,15)
InChIKeyXBGDGQALCOEQMI-UHFFFAOYSA-N
XLogP2.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine (CID 46633282) is 6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine is CN(c1cc(Cl)nc(N)n1)C1CCCCC1.
What is the InChIKey of 6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is XBGDGQALCOEQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-16(8-5-3-2-4-6-8)10-7-9(12)14-11(13)15-10/h7-8H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine?
6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 240.74 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 46633282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).