4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine

C11H9F2N3 — CID 613301

IUPAC4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nc(F)cc(F)n2)c1
InChIInChI=1S/C11H9F2N3/c1-7-3-2-4-8(5-7)14-11-15-9(12)6-10(13)16-11/h2-6H,1H3,(H,14,15,16)
InChIKeyVWZAKWGCUMFPHR-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.81
Rot. Bonds2

About 4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine

4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 613301) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID613301
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nc(F)cc(F)n2)c1
InChIInChI=1S/C11H9F2N3/c1-7-3-2-4-8(5-7)14-11-15-9(12)6-10(13)16-11/h2-6H,1H3,(H,14,15,16)
InChIKeyVWZAKWGCUMFPHR-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796334
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777
5-N-(4-fluorophenyl)-5-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,5-diamine
CID 71289636
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 14064847
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
4-N-(3-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927268
2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 71095114

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine (CID 613301) is 4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine is Cc1cccc(Nc2nc(F)cc(F)n2)c1.
What is the InChIKey of 4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is VWZAKWGCUMFPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c1-7-3-2-4-8(5-7)14-11-15-9(12)6-10(13)16-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of 4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine?
4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 221.21 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 613301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).