4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

C14H23FN4 — CID 80840860

IUPAC4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H23FN4/c1-4-16-14-17-8-12(15)13(19-14)18-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyRHSZHTZYJXKLQI-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.28
Rot. Bonds4

About 4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 80840860) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
PubChem CID80840860
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H23FN4/c1-4-16-14-17-8-12(15)13(19-14)18-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyRHSZHTZYJXKLQI-UHFFFAOYSA-N
XLogP3.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (CID 80840860) is 4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is CCNc1ncc(F)c(NC2CC(C)CC(C)C2)n1.
What is the InChIKey of 4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is RHSZHTZYJXKLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-4-16-14-17-8-12(15)13(19-14)18-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80840860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).