4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine

C10H9FN4 — CID 104739316

IUPAC4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1-c1ccncc1F
InChIInChI=1S/C10H9FN4/c1-6-4-14-10(12)15-9(6)7-2-3-13-5-8(7)11/h2-5H,1H3,(H2,12,14,15)
InChIKeyVNUHVOVTBFWFON-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.57
Rot. Bonds1

About 4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine

4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine (PubChem CID 104739316) has the molecular formula C10H9FN4 and a molecular weight of 204.21 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine
PubChem CID104739316
Molecular FormulaC10H9FN4
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1-c1ccncc1F
InChIInChI=1S/C10H9FN4/c1-6-4-14-10(12)15-9(6)7-2-3-13-5-8(7)11/h2-5H,1H3,(H2,12,14,15)
InChIKeyVNUHVOVTBFWFON-UHFFFAOYSA-N
XLogP1.57
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine (CID 104739316) is 4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1-c1ccncc1F.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine?
The InChIKey is VNUHVOVTBFWFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4/c1-6-4-14-10(12)15-9(6)7-2-3-13-5-8(7)11/h2-5H,1H3,(H2,12,14,15).
What are the key properties of 4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine?
4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine has a molecular weight of 204.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 104739316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).