4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine

C18H17FN4 — CID 112865231

IUPAC4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(Nc3ccc(F)cc3)ncn2)cc1C
InChIInChI=1S/C18H17FN4/c1-12-3-6-16(9-13(12)2)23-18-10-17(20-11-21-18)22-15-7-4-14(19)5-8-15/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyJNTDSPVHWFQFSR-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.72
Rot. Bonds4

About 4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine

4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112865231) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
PubChem CID112865231
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(Nc3ccc(F)cc3)ncn2)cc1C
InChIInChI=1S/C18H17FN4/c1-12-3-6-16(9-13(12)2)23-18-10-17(20-11-21-18)22-15-7-4-14(19)5-8-15/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyJNTDSPVHWFQFSR-UHFFFAOYSA-N
XLogP4.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3,4-dimethylaniline
CID 11020276
4-N-(3,5-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865264
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865260
4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112863770
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80825736
6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112855174
4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864011
6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112865234
6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857798
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865727
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine (CID 112865231) is 4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(Nc3ccc(F)cc3)ncn2)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is JNTDSPVHWFQFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-12-3-6-16(9-13(12)2)23-18-10-17(20-11-21-18)22-15-7-4-14(19)5-8-15/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 308.36 g/mol, XLogP of 4.72, 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-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).