4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

C13H14F2N4 — CID 115265534

IUPAC4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2cc(F)ccc2F)ncn1
InChIInChI=1S/C13H14F2N4/c1-16-12-6-13(18-8-17-12)19(2)7-9-5-10(14)3-4-11(9)15/h3-6,8H,7H2,1-2H3,(H,16,17,18)
InChIKeyBGFGWWZIHGCXQL-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.43
Rot. Bonds4

About 4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 115265534) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID115265534
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2cc(F)ccc2F)ncn1
InChIInChI=1S/C13H14F2N4/c1-16-12-6-13(18-8-17-12)19(2)7-9-5-10(14)3-4-11(9)15/h3-6,8H,7H2,1-2H3,(H,16,17,18)
InChIKeyBGFGWWZIHGCXQL-UHFFFAOYSA-N
XLogP2.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143001
4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265529
4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80794976
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793977
2-N-[(2,5-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147436
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621
4-N,6-N-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 115265586
4-N,6-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80839702
6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143016
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80794453
4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265541
2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779288

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 115265534) is 4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)Cc2cc(F)ccc2F)ncn1.
What is the InChIKey of 4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is BGFGWWZIHGCXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c1-16-12-6-13(18-8-17-12)19(2)7-9-5-10(14)3-4-11(9)15/h3-6,8H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 264.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).