5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine

C10H12FN5 — CID 121020810

IUPAC5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine
SMILESCN(Cc1ccnn1C)c1ncc(F)cn1
InChIInChI=1S/C10H12FN5/c1-15(7-9-3-4-14-16(9)2)10-12-5-8(11)6-13-10/h3-6H,7H2,1-2H3
InChIKeyNJUVPLWSBFUUJH-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.99
Rot. Bonds3

About 5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine

5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine (PubChem CID 121020810) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine
PubChem CID121020810
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine
SMILESCN(Cc1ccnn1C)c1ncc(F)cn1
InChIInChI=1S/C10H12FN5/c1-15(7-9-3-4-14-16(9)2)10-12-5-8(11)6-13-10/h3-6H,7H2,1-2H3
InChIKeyNJUVPLWSBFUUJH-UHFFFAOYSA-N
XLogP0.99
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine (CID 121020810) is 5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine is CN(Cc1ccnn1C)c1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is NJUVPLWSBFUUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-15(7-9-3-4-14-16(9)2)10-12-5-8(11)6-13-10/h3-6H,7H2,1-2H3.
What are the key properties of 5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine?
5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 221.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 121020810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).