2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine

C15H26N4 — CID 80808665

IUPAC2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)C2CCC(CC)CC2)n1
InChIInChI=1S/C15H26N4/c1-4-12-6-8-13(9-7-12)19(3)14-10-11-17-15(18-14)16-5-2/h10-13H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyCASJMIHQRLHDPJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.31
Rot. Bonds5

About 2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine

2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80808665) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID80808665
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)C2CCC(CC)CC2)n1
InChIInChI=1S/C15H26N4/c1-4-12-6-8-13(9-7-12)19(3)14-10-11-17-15(18-14)16-5-2/h10-13H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyCASJMIHQRLHDPJ-UHFFFAOYSA-N
XLogP3.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.31
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-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine (CID 80808665) is 2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine is CCNc1nccc(N(C)C2CCC(CC)CC2)n1.
What is the InChIKey of 2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is CASJMIHQRLHDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-12-6-8-13(9-7-12)19(3)14-10-11-17-15(18-14)16-5-2/h10-13H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.31, 5 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-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80808665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).