4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine

C17H14F2N4 — CID 112877864

IUPAC4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(F)cc2)cc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C17H14F2N4/c1-11-20-16(22-14-6-2-12(18)3-7-14)10-17(21-11)23-15-8-4-13(19)5-9-15/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyYOYVSRAOTLPMJL-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.55
Rot. Bonds4

About 4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine

4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112877864) has the molecular formula C17H14F2N4 and a molecular weight of 312.32 g/mol. Its IUPAC name is 4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112877864
Molecular FormulaC17H14F2N4
Molecular Weight312.32 g/mol
Exact Mass312.12
IUPAC Name4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(F)cc2)cc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C17H14F2N4/c1-11-20-16(22-14-6-2-12(18)3-7-14)10-17(21-11)23-15-8-4-13(19)5-9-15/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyYOYVSRAOTLPMJL-UHFFFAOYSA-N
XLogP4.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-tert-butyl-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875932
6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877576
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881
6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112871574
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112872493
3-[[6-(4-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193456
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877885
4-N-(5-chloro-2-methoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877874
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877722
4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80762879

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112877864) is 4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2ccc(F)cc2)cc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is YOYVSRAOTLPMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4/c1-11-20-16(22-14-6-2-12(18)3-7-14)10-17(21-11)23-15-8-4-13(19)5-9-15/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 312.32 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).