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

C12H12F2N4 — CID 80805369

IUPAC4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C12H12F2N4/c1-15-11-5-12(18-7-17-11)16-6-8-2-3-9(13)10(14)4-8/h2-5,7H,6H2,1H3,(H2,15,16,17,18)
InChIKeyCNXYLAVIJPVLQU-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.41
Rot. Bonds4

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

4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80805369) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID80805369
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C12H12F2N4/c1-15-11-5-12(18-7-17-11)16-6-8-2-3-9(13)10(14)4-8/h2-5,7H,6H2,1H3,(H2,15,16,17,18)
InChIKeyCNXYLAVIJPVLQU-UHFFFAOYSA-N
XLogP2.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097
N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327229
6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine
CID 115265512
4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934939
2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80805540
4-N-[(3,4-difluorophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961685
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112858876

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine (CID 80805369) is 4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NCc2ccc(F)c(F)c2)ncn1.
What is the InChIKey of 4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is CNXYLAVIJPVLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-15-11-5-12(18-7-17-11)16-6-8-2-3-9(13)10(14)4-8/h2-5,7H,6H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 250.25 g/mol, XLogP of 2.41, 4 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]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80805369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).