2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine

C15H14FN5 — CID 130861609

IUPAC2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2cnn(Cc3ccccc3)c2)nc(N)c1F
InChIInChI=1S/C15H14FN5/c1-10-13(16)14(17)20-15(19-10)12-7-18-21(9-12)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H2,17,19,20)
InChIKeyXBWZNFDFTJIDCI-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.42
Rot. Bonds3

About 2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine

2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 130861609) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID130861609
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2cnn(Cc3ccccc3)c2)nc(N)c1F
InChIInChI=1S/C15H14FN5/c1-10-13(16)14(17)20-15(19-10)12-7-18-21(9-12)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H2,17,19,20)
InChIKeyXBWZNFDFTJIDCI-UHFFFAOYSA-N
XLogP2.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine
CID 131010627
(3R,5R)-2-[6-amino-2-(1-benzylpyrazol-4-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 59408595
(4S)-2-[6-amino-2-(1-benzylpyrazol-4-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 70910700
3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269290
6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 122184536
3-(1-benzylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 123589966
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338073
1-benzyl-4-[4-(4-chlorobut-1-en-2-yl)phenyl]pyrazole
CID 141193954
6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 143183374
4-[(4-phenylpyrazol-1-yl)methyl]benzenecarbothioamide
CID 62770269

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine (CID 130861609) is 2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1nc(-c2cnn(Cc3ccccc3)c2)nc(N)c1F.
What is the InChIKey of 2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is XBWZNFDFTJIDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-10-13(16)14(17)20-15(19-10)12-7-18-21(9-12)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H2,17,19,20).
What are the key properties of 2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine?
2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 283.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 130861609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).