N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine

C16H26FN3 — CID 11185082

IUPACN-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1F
InChIInChI=1S/C16H26FN3/c1-5-13-14(17)15(19-10-18-13)20-12-8-6-11(7-9-12)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyNDYVYLYSTBGCIN-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.19
Rot. Bonds3

About N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine

N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 11185082) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID11185082
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1F
InChIInChI=1S/C16H26FN3/c1-5-13-14(17)15(19-10-18-13)20-12-8-6-11(7-9-12)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyNDYVYLYSTBGCIN-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine (CID 11185082) is N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1F.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is NDYVYLYSTBGCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-5-13-14(17)15(19-10-18-13)20-12-8-6-11(7-9-12)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,19,20).
What are the key properties of N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine?
N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 279.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 11185082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).