6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine

C14H13FN6O — CID 22540535

IUPAC6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
SMILESCc1cc(Nc2ncnc(Nc3ccc(F)cc3)c2N)no1
InChIInChI=1S/C14H13FN6O/c1-8-6-11(21-22-8)20-14-12(16)13(17-7-18-14)19-10-4-2-9(15)3-5-10/h2-7H,16H2,1H3,(H2,17,18,19,20,21)
InChIKeyGNXCQHIFDRNCKZ-UHFFFAOYSA-N
MW300.30 g/mol
LogP2.98
Rot. Bonds4

About 6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine

6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine (PubChem CID 22540535) has the molecular formula C14H13FN6O and a molecular weight of 300.30 g/mol. Its IUPAC name is 6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
PubChem CID22540535
Molecular FormulaC14H13FN6O
Molecular Weight300.30 g/mol
Exact Mass300.11
IUPAC Name6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
SMILESCc1cc(Nc2ncnc(Nc3ccc(F)cc3)c2N)no1
InChIInChI=1S/C14H13FN6O/c1-8-6-11(21-22-8)20-14-12(16)13(17-7-18-14)19-10-4-2-9(15)3-5-10/h2-7H,16H2,1H3,(H2,17,18,19,20,21)
InChIKeyGNXCQHIFDRNCKZ-UHFFFAOYSA-N
XLogP2.98
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22540440
6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540408
4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148988
6-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540413
4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540452
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540628
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540447
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22540502
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058
N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22540559
6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540634

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine (CID 22540535) is 6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine is Cc1cc(Nc2ncnc(Nc3ccc(F)cc3)c2N)no1.
What is the InChIKey of 6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
The InChIKey is GNXCQHIFDRNCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6O/c1-8-6-11(21-22-8)20-14-12(16)13(17-7-18-14)19-10-4-2-9(15)3-5-10/h2-7H,16H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine has a molecular weight of 300.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).