5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine

C10H12FN5O — CID 113286041

IUPAC5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOCCn1cc(Nc2ncc(F)cn2)cn1
InChIInChI=1S/C10H12FN5O/c1-17-3-2-16-7-9(6-14-16)15-10-12-4-8(11)5-13-10/h4-7H,2-3H2,1H3,(H,12,13,15)
InChIKeyOJRNVEFLJZHYJN-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.20
Rot. Bonds5

About 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine

5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 113286041) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID113286041
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOCCn1cc(Nc2ncc(F)cn2)cn1
InChIInChI=1S/C10H12FN5O/c1-17-3-2-16-7-9(6-14-16)15-10-12-4-8(11)5-13-10/h4-7H,2-3H2,1H3,(H,12,13,15)
InChIKeyOJRNVEFLJZHYJN-UHFFFAOYSA-N
XLogP1.20
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-2-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093313
US11214565, Example D-11
CID 135374404
5-fluoro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 121560827
5-Fluoro-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidine
CID 132385684
N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]acetamide
CID 59144896
1-[4-[4-(5-Fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-amine
CID 59144901
N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide
CID 59144916
2-N-[5-chloro-1-(oxetan-3-yl)pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093477
N2-(1-isopropyl-1H-pyrazol-4-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281440
4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281524
5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 115749967
4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine
CID 118034428

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine (CID 113286041) is 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine is COCCn1cc(Nc2ncc(F)cn2)cn1.
What is the InChIKey of 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is OJRNVEFLJZHYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O/c1-17-3-2-16-7-9(6-14-16)15-10-12-4-8(11)5-13-10/h4-7H,2-3H2,1H3,(H,12,13,15).
What are the key properties of 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine?
5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 237.24 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 113286041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).