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

C13H15FN4 — CID 80794458

IUPAC4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN4/c1-9-7-16-13(15)17-12(9)18(2)8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKeyGLQADVPDTNMVRQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.14
Rot. Bonds3

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

4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80794458) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80794458
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN4/c1-9-7-16-13(15)17-12(9)18(2)8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKeyGLQADVPDTNMVRQ-UHFFFAOYSA-N
XLogP2.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794231
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80777490
N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine
CID 164655114
1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80826755
4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80796019
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80898833
5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
CID 113388103
3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 171702410
2-hydrazinyl-N,5-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80907599
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80764683
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine
CID 82236296
4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
CID 72891962

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine (CID 80794458) is 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine is Cc1cnc(N)nc1N(C)Cc1ccc(F)cc1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is GLQADVPDTNMVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-9-7-16-13(15)17-12(9)18(2)8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80794458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).