N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine

C14H22FN3O — CID 116776421

IUPACN-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C2(OC)CCCCC2)nc(C)c1F
InChIInChI=1S/C14H22FN3O/c1-4-16-12-11(15)10(2)17-13(18-12)14(19-3)8-6-5-7-9-14/h4-9H2,1-3H3,(H,16,17,18)
InChIKeyUOJZZFOQRHYQRF-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.16
Rot. Bonds4

About N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine

N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine (PubChem CID 116776421) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
PubChem CID116776421
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C2(OC)CCCCC2)nc(C)c1F
InChIInChI=1S/C14H22FN3O/c1-4-16-12-11(15)10(2)17-13(18-12)14(19-3)8-6-5-7-9-14/h4-9H2,1-3H3,(H,16,17,18)
InChIKeyUOJZZFOQRHYQRF-UHFFFAOYSA-N
XLogP3.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116776442
2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 116776412
2-(1-methoxycyclopentyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 104611698
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 104611900
6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 116776378
N-ethyl-5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611750
N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 116731657
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 104611901
5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116776664
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 104611902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine (CID 116776421) is N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine is CCNc1nc(C2(OC)CCCCC2)nc(C)c1F.
What is the InChIKey of N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine?
The InChIKey is UOJZZFOQRHYQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-16-12-11(15)10(2)17-13(18-12)14(19-3)8-6-5-7-9-14/h4-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine?
N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine has a molecular weight of 267.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 116776421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).