N-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine

C17H28FN3 — CID 22097429

IUPACN-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1CF
InChIInChI=1S/C17H28FN3/c1-5-15-14(10-18)16(20-11-19-15)21-13-8-6-12(7-9-13)17(2,3)4/h11-13H,5-10H2,1-4H3,(H,19,20,21)
InChIKeyRAKJTWRCFQODSD-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.53
Rot. Bonds4

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

N-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine (PubChem CID 22097429) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine
PubChem CID22097429
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1CF
InChIInChI=1S/C17H28FN3/c1-5-15-14(10-18)16(20-11-19-15)21-13-8-6-12(7-9-13)17(2,3)4/h11-13H,5-10H2,1-4H3,(H,19,20,21)
InChIKeyRAKJTWRCFQODSD-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.53
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-(fluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine (CID 22097429) is N-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine is CCc1ncnc(NC2CCC(C(C)(C)C)CC2)c1CF.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine?
The InChIKey is RAKJTWRCFQODSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-5-15-14(10-18)16(20-11-19-15)21-13-8-6-12(7-9-13)17(2,3)4/h11-13H,5-10H2,1-4H3,(H,19,20,21).
What are the key properties of N-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine?
N-(4-tert-butylcyclohexyl)-6-ethyl-5-(fluoromethyl)pyrimidin-4-amine has a molecular weight of 293.43 g/mol, XLogP of 4.53, 4 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-(fluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 22097429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).