4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine

C16H13F2N5 — CID 19148988

IUPAC4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(F)cc1
InChIInChI=1S/C16H13F2N5/c17-10-1-5-12(6-2-10)22-15-14(19)16(21-9-20-15)23-13-7-3-11(18)4-8-13/h1-9H,19H2,(H2,20,21,22,23)
InChIKeyBGUVCGGRLZACFA-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.82
Rot. Bonds4

About 4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine

4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19148988) has the molecular formula C16H13F2N5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19148988
Molecular FormulaC16H13F2N5
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(F)cc1
InChIInChI=1S/C16H13F2N5/c17-10-1-5-12(6-2-10)22-15-14(19)16(21-9-20-15)23-13-7-3-11(18)4-8-13/h1-9H,19H2,(H2,20,21,22,23)
InChIKeyBGUVCGGRLZACFA-UHFFFAOYSA-N
XLogP3.82
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058
4-N-(2-chlorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19147903
4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149079
6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458
6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540535
4-N-(4-fluorophenyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142409
6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144474
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22541228
2-methylpropyl 4-[[5-amino-6-(4-fluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 19148993
4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine
CID 143942387

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine (CID 19148988) is 4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(F)cc1.
What is the InChIKey of 4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is BGUVCGGRLZACFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5/c17-10-1-5-12(6-2-10)22-15-14(19)16(21-9-20-15)23-13-7-3-11(18)4-8-13/h1-9H,19H2,(H2,20,21,22,23).
What are the key properties of 4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine?
4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 313.31 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19148988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).