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

C17H18ClN5O — CID 112878188

IUPAC4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCc1cc(C)c(Nc2cc(Nc3cc(C)on3)nc(C)n2)c(Cl)c1
InChIInChI=1S/C17H18ClN5O/c1-9-5-10(2)17(13(18)6-9)22-15-8-14(19-12(4)20-15)21-16-7-11(3)24-23-16/h5-8H,1-4H3,(H2,19,20,21,22,23)
InChIKeyFLVPZYHBKKLLHK-UHFFFAOYSA-N
MW343.82 g/mol
LogP4.84
Rot. Bonds4

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

4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 112878188) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
PubChem CID112878188
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCc1cc(C)c(Nc2cc(Nc3cc(C)on3)nc(C)n2)c(Cl)c1
InChIInChI=1S/C17H18ClN5O/c1-9-5-10(2)17(13(18)6-9)22-15-8-14(19-12(4)20-15)21-16-7-11(3)24-23-16/h5-8H,1-4H3,(H2,19,20,21,22,23)
InChIKeyFLVPZYHBKKLLHK-UHFFFAOYSA-N
XLogP4.84
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112966752
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849685
4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870105
6-N-(4-chlorophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878057
4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112879163
6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878999
2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine
CID 15294526
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092978
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867831
4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112875926
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871780
6-N-(2-bromophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878982

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (CID 112878188) is 4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is Cc1cc(C)c(Nc2cc(Nc3cc(C)on3)nc(C)n2)c(Cl)c1.
What is the InChIKey of 4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is FLVPZYHBKKLLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-9-5-10(2)17(13(18)6-9)22-15-8-14(19-12(4)20-15)21-16-7-11(3)24-23-16/h5-8H,1-4H3,(H2,19,20,21,22,23).
What are the key properties of 4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 343.82 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112878188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).