2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile

C12H9F2N5O — CID 169396261

IUPAC2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C12H9F2N5O/c13-11(14)20-7-3-1-2-6(4-7)9-8(5-15)10(16)19-12(17)18-9/h1-4,11H,(H4,16,17,18,19)
InChIKeyFRXGQSAMPCIPHS-UHFFFAOYSA-N
MW277.23 g/mol
LogP1.78
Rot. Bonds3

About 2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile

2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile (PubChem CID 169396261) has the molecular formula C12H9F2N5O and a molecular weight of 277.23 g/mol. Its IUPAC name is 2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
PubChem CID169396261
Molecular FormulaC12H9F2N5O
Molecular Weight277.23 g/mol
Exact Mass277.08
IUPAC Name2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C12H9F2N5O/c13-11(14)20-7-3-1-2-6(4-7)9-8(5-15)10(16)19-12(17)18-9/h1-4,11H,(H4,16,17,18,19)
InChIKeyFRXGQSAMPCIPHS-UHFFFAOYSA-N
XLogP1.78
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile 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

2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11361402
2,4-diamino-6-[3-(2-phenylethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397662
2,4-diamino-6-[3-(naphthalen-1-ylmethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397529
2,4-diamino-6-[3-[(4-bromophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397384
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
2,4-diamino-6-[3-(2,4-difluorophenyl)phenyl]pyrimidine-5-carbonitrile
CID 169396904
2,4-diamino-6-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397668
2,4-diamino-6-[4-chloro-2-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396382
2,4-diamino-6-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397675
methyl 3-[3-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]benzoate
CID 169398246
3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide
CID 169398285
2,4-diamino-6-[3-(2-trimethylsilylethynyl)phenyl]pyrimidine-5-carbonitrile
CID 169398364

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile (CID 169396261) is 2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1cccc(OC(F)F)c1.
What is the InChIKey of 2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is FRXGQSAMPCIPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5O/c13-11(14)20-7-3-1-2-6(4-7)9-8(5-15)10(16)19-12(17)18-9/h1-4,11H,(H4,16,17,18,19).
What are the key properties of 2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile?
2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 277.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169396261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).