5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C9H10FN5 — CID 39834687

IUPAC5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2cnn(C)c2)ncc1F
InChIInChI=1S/C9H10FN5/c1-11-9-7(10)4-12-8(14-9)6-3-13-15(2)5-6/h3-5H,1-2H3,(H,11,12,14)
InChIKeyHMIONMRFSGKPAI-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.06
Rot. Bonds2

About 5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine

5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 39834687) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID39834687
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2cnn(C)c2)ncc1F
InChIInChI=1S/C9H10FN5/c1-11-9-7(10)4-12-8(14-9)6-3-13-15(2)5-6/h3-5H,1-2H3,(H,11,12,14)
InChIKeyHMIONMRFSGKPAI-UHFFFAOYSA-N
XLogP1.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 39834687) is 5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine is CNc1nc(-c2cnn(C)c2)ncc1F.
What is the InChIKey of 5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is HMIONMRFSGKPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c1-11-9-7(10)4-12-8(14-9)6-3-13-15(2)5-6/h3-5H,1-2H3,(H,11,12,14).
What are the key properties of 5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 207.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 39834687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).