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

C11H14FN5O — CID 114274021

IUPAC5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-n2cc(OC)cn2)n1
InChIInChI=1S/C11H14FN5O/c1-3-4-13-11-14-6-9(12)10(16-11)17-7-8(18-2)5-15-17/h5-7H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyDLJXAIHBWUPUIO-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.63
Rot. Bonds5

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

5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 114274021) has the molecular formula C11H14FN5O and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine
PubChem CID114274021
Molecular FormulaC11H14FN5O
Molecular Weight251.27 g/mol
Exact Mass251.12
IUPAC Name5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-n2cc(OC)cn2)n1
InChIInChI=1S/C11H14FN5O/c1-3-4-13-11-14-6-9(12)10(16-11)17-7-8(18-2)5-15-17/h5-7H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyDLJXAIHBWUPUIO-UHFFFAOYSA-N
XLogP1.63
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,8-Dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 11446888
4-N-butyl-5-[(1-methylpyrazol-4-yl)methoxy]pyrimidine-2,4-diamine
CID 155522696
5,8-Dimethoxy[1,2,4]-triazolo[1,5-c]pyrimidine
CID 137796803
2-(2,2,3,4,4,4-Hexafluorobutoxy)-5-methoxy-4-(1,2,4-triazol-1-yl)pyrimidine
CID 87548021
4-N-(4-fluorobutyl)-5-methoxypyrimidine-2,4-diamine
CID 89966657
1-[2-[5-(2,2-Difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine
CID 166568006
1-[2-[5-(Difluoromethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine
CID 166568105
2-(4-Fluoropyrazol-1-yl)-6-methoxypyrazine
CID 169574321
2-(4-Fluoropyrazol-1-yl)-5-methoxypyrimidine
CID 169574962
2-(4-Fluoropyrazol-1-yl)-5-methoxypyrazine
CID 169574990
8-Methoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 357166
N-ethyl-5-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 81725500

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine (CID 114274021) is 5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(-n2cc(OC)cn2)n1.
What is the InChIKey of 5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is DLJXAIHBWUPUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-3-4-13-11-14-6-9(12)10(16-11)17-7-8(18-2)5-15-17/h5-7H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine?
5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 251.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 114274021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).