4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine

C12H12F2N4 — CID 80805632

IUPAC4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12F2N4/c1-7-17-11(15)5-12(18-7)16-6-8-2-3-9(13)10(14)4-8/h2-5H,6H2,1H3,(H3,15,16,17,18)
InChIKeyIIJWYOOEOCYANV-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.26
Rot. Bonds3

About 4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine

4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 80805632) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
PubChem CID80805632
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12F2N4/c1-7-17-11(15)5-12(18-7)16-6-8-2-3-9(13)10(14)4-8/h2-5H,6H2,1H3,(H3,15,16,17,18)
InChIKeyIIJWYOOEOCYANV-UHFFFAOYSA-N
XLogP2.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80904358
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744
2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
CID 80961888
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717976
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
4-N-[(3,4-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564540
4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80804456
4-N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpyrimidine-4,6-diamine
CID 80934899
4-N-[(4-chlorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765688
N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine (CID 80805632) is 4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(N)cc(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is IIJWYOOEOCYANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-7-17-11(15)5-12(18-7)16-6-8-2-3-9(13)10(14)4-8/h2-5H,6H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 250.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80805632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).