4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine

C14H23FN4 — CID 80764245

IUPAC4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCCCCCC2)n1
InChIInChI=1S/C14H23FN4/c1-2-8-16-14-17-11-12(15)13(18-14)19-9-6-4-3-5-7-10-19/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyTWFNJNJZFUTZLA-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.21
Rot. Bonds4

About 4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine

4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80764245) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80764245
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCCCCCC2)n1
InChIInChI=1S/C14H23FN4/c1-2-8-16-14-17-11-12(15)13(18-14)19-9-6-4-3-5-7-10-19/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyTWFNJNJZFUTZLA-UHFFFAOYSA-N
XLogP3.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
CID 80764338
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754662
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 115563063
5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80836408
4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 80856544
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50950437
4-(2,3-dimethylpiperidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80822054
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 102729112
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 134707239

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine (CID 80764245) is 4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(N2CCCCCCC2)n1.
What is the InChIKey of 4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is TWFNJNJZFUTZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-2-8-16-14-17-11-12(15)13(18-14)19-9-6-4-3-5-7-10-19/h11H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 266.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80764245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).