2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine

C14H24N4 — CID 80799591

IUPAC2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)C2CCC(C)CC2)n1
InChIInChI=1S/C14H24N4/c1-4-15-14-16-10-9-13(17-14)18(3)12-7-5-11(2)6-8-12/h9-12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyBTPHWIVFSHBZDC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds4

About 2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine (PubChem CID 80799591) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
PubChem CID80799591
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)C2CCC(C)CC2)n1
InChIInChI=1S/C14H24N4/c1-4-15-14-16-10-9-13(17-14)18(3)12-7-5-11(2)6-8-12/h9-12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyBTPHWIVFSHBZDC-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine (CID 80799591) is 2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine is CCNc1nccc(N(C)C2CCC(C)CC2)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
The InChIKey is BTPHWIVFSHBZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-15-14-16-10-9-13(17-14)18(3)12-7-5-11(2)6-8-12/h9-12H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80799591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).