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

C14H16F2N4 — CID 80934939

IUPAC4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H16F2N4/c1-3-12-19-13(17-2)7-14(20-12)18-8-9-4-5-10(15)11(16)6-9/h4-7H,3,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyYLBDBOVFKDKYQZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.97
Rot. Bonds5

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

4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80934939) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80934939
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H16F2N4/c1-3-12-19-13(17-2)7-14(20-12)18-8-9-4-5-10(15)11(16)6-9/h4-7H,3,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyYLBDBOVFKDKYQZ-UHFFFAOYSA-N
XLogP2.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3,4-difluorophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961685
4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80805369
2-ethyl-6-N-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80934553
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80805540
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744
4-N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpyrimidine-4,6-diamine
CID 80934899
N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80904358
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80939677
6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80805276
6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 82827615
2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80933910

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 80934939) is 4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine is CCc1nc(NC)cc(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is YLBDBOVFKDKYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-3-12-19-13(17-2)7-14(20-12)18-8-9-4-5-10(15)11(16)6-9/h4-7H,3,8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 278.31 g/mol, XLogP of 2.97, 5 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-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).