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

C16H28N4 — CID 80834957

IUPAC6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCC2CCC(C)CC2)c1C
InChIInChI=1S/C16H28N4/c1-11-5-7-14(8-6-11)9-10-18-16-12(2)15(17-4)19-13(3)20-16/h11,14H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyWWSGHIYQAGUATP-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.76
Rot. Bonds5

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

6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80834957) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
PubChem CID80834957
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCC2CCC(C)CC2)c1C
InChIInChI=1S/C16H28N4/c1-11-5-7-14(8-6-11)9-10-18-16-12(2)15(17-4)19-13(3)20-16/h11,14H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyWWSGHIYQAGUATP-UHFFFAOYSA-N
XLogP3.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine (CID 80834957) is 6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine is CNc1nc(C)nc(NCCC2CCC(C)CC2)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is WWSGHIYQAGUATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-11-5-7-14(8-6-11)9-10-18-16-12(2)15(17-4)19-13(3)20-16/h11,14H,5-10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80834957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).