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

C15H13Cl2N5O — CID 112932237

IUPAC4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2c(Cl)cccc2Cl)nc(Nc2cc(C)on2)n1
InChIInChI=1S/C15H13Cl2N5O/c1-8-6-12(19-14-10(16)4-3-5-11(14)17)20-15(18-8)21-13-7-9(2)23-22-13/h3-7H,1-2H3,(H2,18,19,20,21,22)
InChIKeyGCQLGAKCVKULBV-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.88
Rot. Bonds4

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

4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 112932237) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
PubChem CID112932237
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC Name4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2c(Cl)cccc2Cl)nc(Nc2cc(C)on2)n1
InChIInChI=1S/C15H13Cl2N5O/c1-8-6-12(19-14-10(16)4-3-5-11(14)17)20-15(18-8)21-13-7-9(2)23-22-13/h3-7H,1-2H3,(H2,18,19,20,21,22)
InChIKeyGCQLGAKCVKULBV-UHFFFAOYSA-N
XLogP4.88
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112930079
2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112929887
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907386
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928213
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846976
6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112931774
2-N-(2-ethylphenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928662
6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112931796
2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112908448
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931859
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112910660
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925569

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine (CID 112932237) is 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2c(Cl)cccc2Cl)nc(Nc2cc(C)on2)n1.
What is the InChIKey of 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is GCQLGAKCVKULBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c1-8-6-12(19-14-10(16)4-3-5-11(14)17)20-15(18-8)21-13-7-9(2)23-22-13/h3-7H,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 350.21 g/mol, XLogP of 4.88, 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-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112932237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).