5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine

C10H12FN5O — CID 114274068

IUPAC5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine
SMILESCCCOc1cnn(-c2nc(N)ncc2F)c1
InChIInChI=1S/C10H12FN5O/c1-2-3-17-7-4-14-16(6-7)9-8(11)5-13-10(12)15-9/h4-6H,2-3H2,1H3,(H2,12,13,15)
InChIKeyZQJIOAVWNIZYFN-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.17
Rot. Bonds4

About 5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine

5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine (PubChem CID 114274068) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is 5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine
PubChem CID114274068
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine
SMILESCCCOc1cnn(-c2nc(N)ncc2F)c1
InChIInChI=1S/C10H12FN5O/c1-2-3-17-7-4-14-16(6-7)9-8(11)5-13-10(12)15-9/h4-6H,2-3H2,1H3,(H2,12,13,15)
InChIKeyZQJIOAVWNIZYFN-UHFFFAOYSA-N
XLogP1.17
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-butyl-5-[(1-methylpyrazol-4-yl)methoxy]pyrimidine-2,4-diamine
CID 155522696
2-(2,2,3,4,4,4-Hexafluorobutoxy)-5-methoxy-4-(1,2,4-triazol-1-yl)pyrimidine
CID 87548021
5-Fluoro-2-[2-[2-(2-methyl-4-propan-2-yloxypyrazol-2-ium-1-yl)-1-methylsulfanylethoxy]ethyl]pyrimidine
CID 156043057
1-[2-[5-(2,2-Difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine
CID 166568006
2-[5-(1-Bromoethyl)-1,2,4-triazol-1-yl]-5-(2,2-difluoroethoxy)pyrimidine
CID 166568093
2-(4-Fluoropyrazol-1-yl)-5-methoxypyrimidine
CID 169574962
6-(2,2-Difluoroethoxy)pyrazolo[1,5-a]pyrimidine
CID 171505650
6-(2,2-Difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
CID 171505657
8-Methoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 357166
(11R)-14-chloro-5,11-dimethyl-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 170397501
N-ethyl-5-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 81725500
5-Methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 81725577

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine (CID 114274068) is 5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine is CCCOc1cnn(-c2nc(N)ncc2F)c1.
What is the InChIKey of 5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine?
The InChIKey is ZQJIOAVWNIZYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O/c1-2-3-17-7-4-14-16(6-7)9-8(11)5-13-10(12)15-9/h4-6H,2-3H2,1H3,(H2,12,13,15).
What are the key properties of 5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine?
5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine has a molecular weight of 237.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 114274068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).