4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine

C15H13F2N5O — CID 112879163

IUPAC4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2cc(C)on2)cc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C15H13F2N5O/c1-8-6-14(22-23-8)20-12-7-13(19-9(2)18-12)21-15-10(16)4-3-5-11(15)17/h3-7H,1-2H3,(H2,18,19,20,21,22)
InChIKeyFJVZVICRPRKVOD-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.85
Rot. Bonds4

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

4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 112879163) has the molecular formula C15H13F2N5O and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
PubChem CID112879163
Molecular FormulaC15H13F2N5O
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC Name4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2cc(C)on2)cc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C15H13F2N5O/c1-8-6-14(22-23-8)20-12-7-13(19-9(2)18-12)21-15-10(16)4-3-5-11(15)17/h3-7H,1-2H3,(H2,18,19,20,21,22)
InChIKeyFJVZVICRPRKVOD-UHFFFAOYSA-N
XLogP3.85
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 112851224
4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877504
6-N-(2-bromophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878982
6-N-(4-chlorophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878057
4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878188
6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878329
6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878999
N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112874812
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871780
6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine
CID 112876851
6-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359971
4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878475

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (CID 112879163) is 4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is Cc1nc(Nc2cc(C)on2)cc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is FJVZVICRPRKVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O/c1-8-6-14(22-23-8)20-12-7-13(19-9(2)18-12)21-15-10(16)4-3-5-11(15)17/h3-7H,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 317.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112879163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).