4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine

C11H13FN4 — CID 68587252

IUPAC4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine
SMILESCc1cc(C2(N)C=CNC(N)=N2)ccc1F
InChIInChI=1S/C11H13FN4/c1-7-6-8(2-3-9(7)12)11(14)4-5-15-10(13)16-11/h2-6H,14H2,1H3,(H3,13,15,16)
InChIKeyOGEKLRMBXVGMIC-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.68
Rot. Bonds1

About 4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine

4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine (PubChem CID 68587252) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine
PubChem CID68587252
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine
SMILESCc1cc(C2(N)C=CNC(N)=N2)ccc1F
InChIInChI=1S/C11H13FN4/c1-7-6-8(2-3-9(7)12)11(14)4-5-15-10(13)16-11/h2-6H,14H2,1H3,(H3,13,15,16)
InChIKeyOGEKLRMBXVGMIC-UHFFFAOYSA-N
XLogP0.68
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine (CID 68587252) is 4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine is Cc1cc(C2(N)C=CNC(N)=N2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is OGEKLRMBXVGMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-7-6-8(2-3-9(7)12)11(14)4-5-15-10(13)16-11/h2-6H,14H2,1H3,(H3,13,15,16).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine?
4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 220.25 g/mol, XLogP of 0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 68587252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).