4-N-(2-fluorophenyl)pyrimidine-4,6-diamine

C10H9FN4 — CID 80760577

IUPAC4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccccc2F)ncn1
InChIInChI=1S/C10H9FN4/c11-7-3-1-2-4-8(7)15-10-5-9(12)13-6-14-10/h1-6H,(H3,12,13,14,15)
InChIKeyWBTKCZUGWMKKHU-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.94
Rot. Bonds2

About 4-N-(2-fluorophenyl)pyrimidine-4,6-diamine

4-N-(2-fluorophenyl)pyrimidine-4,6-diamine (PubChem CID 80760577) has the molecular formula C10H9FN4 and a molecular weight of 204.21 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
PubChem CID80760577
Molecular FormulaC10H9FN4
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccccc2F)ncn1
InChIInChI=1S/C10H9FN4/c11-7-3-1-2-4-8(7)15-10-5-9(12)13-6-14-10/h1-6H,(H3,12,13,14,15)
InChIKeyWBTKCZUGWMKKHU-UHFFFAOYSA-N
XLogP1.94
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile
CID 80793758
4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine
CID 80755229
4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine
CID 80759668
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 80836348
4-N-(5-chloro-2-methylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 112865622
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
4-N-(2-methyl-3-pyridinyl)pyrimidine-4,6-diamine
CID 114561921
4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 80761249
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724
N-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865645
6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 112857813
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)pyrimidine-4,6-diamine (CID 80760577) is 4-N-(2-fluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)pyrimidine-4,6-diamine is Nc1cc(Nc2ccccc2F)ncn1.
What is the InChIKey of 4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is WBTKCZUGWMKKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4/c11-7-3-1-2-4-8(7)15-10-5-9(12)13-6-14-10/h1-6H,(H3,12,13,14,15).
What are the key properties of 4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
4-N-(2-fluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 204.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80760577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).