4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine

C13H20N4 — CID 143008046

IUPAC4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine
SMILESC=Cc1c(NC)ncnc1NC1CCCCC1
InChIInChI=1S/C13H20N4/c1-3-11-12(14-2)15-9-16-13(11)17-10-7-5-4-6-8-10/h3,9-10H,1,4-8H2,2H3,(H2,14,15,16,17)
InChIKeyGYNOGDJXQRVRBL-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.91
Rot. Bonds4

About 4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine

4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 143008046) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID143008046
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine
SMILESC=Cc1c(NC)ncnc1NC1CCCCC1
InChIInChI=1S/C13H20N4/c1-3-11-12(14-2)15-9-16-13(11)17-10-7-5-4-6-8-10/h3,9-10H,1,4-8H2,2H3,(H2,14,15,16,17)
InChIKeyGYNOGDJXQRVRBL-UHFFFAOYSA-N
XLogP2.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine (CID 143008046) is 4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine is C=Cc1c(NC)ncnc1NC1CCCCC1.
What is the InChIKey of 4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is GYNOGDJXQRVRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-11-12(14-2)15-9-16-13(11)17-10-7-5-4-6-8-10/h3,9-10H,1,4-8H2,2H3,(H2,14,15,16,17).
What are the key properties of 4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine?
4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 143008046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).