5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine

C15H26N4 — CID 80807733

IUPAC5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
SMILESCCCC1CCC(Nc2ncnc(N)c2CC)CC1
InChIInChI=1S/C15H26N4/c1-3-5-11-6-8-12(9-7-11)19-15-13(4-2)14(16)17-10-18-15/h10-12H,3-9H2,1-2H3,(H3,16,17,18,19)
InChIKeyXCUFXQWAEXMSDH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.39
Rot. Bonds5

About 5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine

5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 80807733) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID80807733
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
SMILESCCCC1CCC(Nc2ncnc(N)c2CC)CC1
InChIInChI=1S/C15H26N4/c1-3-5-11-6-8-12(9-7-11)19-15-13(4-2)14(16)17-10-18-15/h10-12H,3-9H2,1-2H3,(H3,16,17,18,19)
InChIKeyXCUFXQWAEXMSDH-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine (CID 80807733) is 5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine is CCCC1CCC(Nc2ncnc(N)c2CC)CC1.
What is the InChIKey of 5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is XCUFXQWAEXMSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-5-11-6-8-12(9-7-11)19-15-13(4-2)14(16)17-10-18-15/h10-12H,3-9H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine?
5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80807733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).