4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine

C14H16BrClN4O — CID 104725543

IUPAC4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(Cl)c(C)cc2Br)nc(COC)n1
InChIInChI=1S/C14H16BrClN4O/c1-8-4-9(15)11(5-10(8)16)18-13-6-12(17-2)19-14(20-13)7-21-3/h4-6H,7H2,1-3H3,(H2,17,18,19,20)
InChIKeySQRGTRZEHALMTC-UHFFFAOYSA-N
MW371.67 g/mol
LogP4.13
Rot. Bonds5

About 4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 104725543) has the molecular formula C14H16BrClN4O and a molecular weight of 371.67 g/mol. Its IUPAC name is 4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID104725543
Molecular FormulaC14H16BrClN4O
Molecular Weight371.67 g/mol
Exact Mass370.02
IUPAC Name4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(Cl)c(C)cc2Br)nc(COC)n1
InChIInChI=1S/C14H16BrClN4O/c1-8-4-9(15)11(5-10(8)16)18-13-6-12(17-2)19-14(20-13)7-21-3/h4-6H,7H2,1-3H3,(H2,17,18,19,20)
InChIKeySQRGTRZEHALMTC-UHFFFAOYSA-N
XLogP4.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 104725572
4-N-(2-chloro-5-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638868
4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638612
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 104725517
4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107604540
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 81272386
4-N-(4-bromo-2,3-dichlorophenyl)-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 107794910
4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638613
6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106580696
2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine
CID 104725516

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine (CID 104725543) is 4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2cc(Cl)c(C)cc2Br)nc(COC)n1.
What is the InChIKey of 4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is SQRGTRZEHALMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4O/c1-8-4-9(15)11(5-10(8)16)18-13-6-12(17-2)19-14(20-13)7-21-3/h4-6H,7H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 371.67 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 104725543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).