4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine

C12H18FN3O — CID 80879473

IUPAC4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(OCC2CCCCC2)n1
InChIInChI=1S/C12H18FN3O/c1-14-12-15-7-10(13)11(16-12)17-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyRNAGNUAECWTJLH-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.62
Rot. Bonds4

About 4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine

4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80879473) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80879473
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(OCC2CCCCC2)n1
InChIInChI=1S/C12H18FN3O/c1-14-12-15-7-10(13)11(16-12)17-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyRNAGNUAECWTJLH-UHFFFAOYSA-N
XLogP2.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80877804
4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine
CID 80880904
N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine
CID 175805376
4-(cyclohexylmethoxy)-5-fluoro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 175805419
4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 175805479
4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 175805342
4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332489
[5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine
CID 80930643
5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine
CID 80877801
4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80866074
4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80870969
5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385739

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine (CID 80879473) is 4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(OCC2CCCCC2)n1.
What is the InChIKey of 4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is RNAGNUAECWTJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-14-12-15-7-10(13)11(16-12)17-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,14,15,16).
What are the key properties of 4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine?
4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 239.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80879473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).