4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine

C14H22FN3O — CID 80870969

IUPAC4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OC2CCCCCC2)n1
InChIInChI=1S/C14H22FN3O/c1-2-9-16-14-17-10-12(15)13(18-14)19-11-7-5-3-4-6-8-11/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyKFXUIHQRLWRWAL-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.54
Rot. Bonds5

About 4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine

4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80870969) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80870969
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OC2CCCCCC2)n1
InChIInChI=1S/C14H22FN3O/c1-2-9-16-14-17-10-12(15)13(18-14)19-11-7-5-3-4-6-8-11/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyKFXUIHQRLWRWAL-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871
5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine
CID 80872902
4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine
CID 80871066
4-cycloheptyloxy-N-propylpyrimidin-2-amine
CID 80871966
5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine
CID 80870663
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine
CID 114342894
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80879085
4-N-(cyclohexylmethyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799427
4-(cyclopentylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80877804

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine (CID 80870969) is 4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(OC2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is KFXUIHQRLWRWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-2-9-16-14-17-10-12(15)13(18-14)19-11-7-5-3-4-6-8-11/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine?
4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 267.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80870969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).