4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine

C14H20FN5 — CID 82699570

IUPAC4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-n2nc(CC)cc2CC)n1
InChIInChI=1S/C14H20FN5/c1-4-7-16-14-17-9-12(15)13(18-14)20-11(6-3)8-10(5-2)19-20/h8-9H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyDXWISXXYAMROKD-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.75
Rot. Bonds6

About 4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine

4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 82699570) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID82699570
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC Name4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-n2nc(CC)cc2CC)n1
InChIInChI=1S/C14H20FN5/c1-4-7-16-14-17-9-12(15)13(18-14)20-11(6-3)8-10(5-2)19-20/h8-9H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyDXWISXXYAMROKD-UHFFFAOYSA-N
XLogP2.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine
CID 82699718
4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine
CID 82699423
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80857272
4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80853428
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 115563063
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754662
4-(2,3-dimethylpiperidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80822054
4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 114272833
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80836408
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 102729112

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine (CID 82699570) is 4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(-n2nc(CC)cc2CC)n1.
What is the InChIKey of 4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is DXWISXXYAMROKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/c1-4-7-16-14-17-9-12(15)13(18-14)20-11(6-3)8-10(5-2)19-20/h8-9H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 277.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 82699570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).