4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine

C13H15F2N5 — CID 80805539

IUPAC4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCc2ccc(F)c(F)c2)nc(N)n1
InChIInChI=1S/C13H15F2N5/c1-2-17-11-6-12(20-13(16)19-11)18-7-8-3-4-9(14)10(15)5-8/h3-6H,2,7H2,1H3,(H4,16,17,18,19,20)
InChIKeyVVQMELDYCOCWFP-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.38
Rot. Bonds5

About 4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine

4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80805539) has the molecular formula C13H15F2N5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80805539
Molecular FormulaC13H15F2N5
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC Name4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCc2ccc(F)c(F)c2)nc(N)n1
InChIInChI=1S/C13H15F2N5/c1-2-17-11-6-12(20-13(16)19-11)18-7-8-3-4-9(14)10(15)5-8/h3-6H,2,7H2,1H3,(H4,16,17,18,19,20)
InChIKeyVVQMELDYCOCWFP-UHFFFAOYSA-N
XLogP2.38
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80805276
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]-2-propylpyrimidine-4,6-diamine
CID 80954744
4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80804456
6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
CID 80772345
N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80904358
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934939
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80804455
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine (CID 80805539) is 4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(NCc2ccc(F)c(F)c2)nc(N)n1.
What is the InChIKey of 4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is VVQMELDYCOCWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5/c1-2-17-11-6-12(20-13(16)19-11)18-7-8-3-4-9(14)10(15)5-8/h3-6H,2,7H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 279.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80805539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).