6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine

C14H12FN5 — CID 106194086

IUPAC6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine
SMILESFc1cc(NCc2ccc(-c3ccn[nH]3)cc2)ncn1
InChIInChI=1S/C14H12FN5/c15-13-7-14(18-9-17-13)16-8-10-1-3-11(4-2-10)12-5-6-19-20-12/h1-7,9H,8H2,(H,19,20)(H,16,17,18)
InChIKeyYTAHOWNGBQFTCB-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.62
Rot. Bonds4

About 6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine

6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 106194086) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is 6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID106194086
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC Name6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine
SMILESFc1cc(NCc2ccc(-c3ccn[nH]3)cc2)ncn1
InChIInChI=1S/C14H12FN5/c15-13-7-14(18-9-17-13)16-8-10-1-3-11(4-2-10)12-5-6-19-20-12/h1-7,9H,8H2,(H,19,20)(H,16,17,18)
InChIKeyYTAHOWNGBQFTCB-UHFFFAOYSA-N
XLogP2.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974643
4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 43733257
[3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197098
3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine
CID 106875582
N-[(3-chloro-5-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 114452531
4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]benzonitrile
CID 60965226
N-propan-2-yl-6-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine
CID 74247329
N-[(4-methylsulfanylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745309
4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine
CID 61241748
6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265801
1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one
CID 62940084
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine (CID 106194086) is 6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine is Fc1cc(NCc2ccc(-c3ccn[nH]3)cc2)ncn1.
What is the InChIKey of 6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is YTAHOWNGBQFTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c15-13-7-14(18-9-17-13)16-8-10-1-3-11(4-2-10)12-5-6-19-20-12/h1-7,9H,8H2,(H,19,20)(H,16,17,18).
What are the key properties of 6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine?
6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 269.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 106194086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).