4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C15H19BrN4O — CID 80829815

IUPAC4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2cc(OC)ccc2Br)c1C(C)C
InChIInChI=1S/C15H19BrN4O/c1-9(2)13-14(17-3)18-8-19-15(13)20-12-7-10(21-4)5-6-11(12)16/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyLXGBNTUENHDRDD-UHFFFAOYSA-N
MW351.25 g/mol
LogP4.16
Rot. Bonds5

About 4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80829815) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80829815
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2cc(OC)ccc2Br)c1C(C)C
InChIInChI=1S/C15H19BrN4O/c1-9(2)13-14(17-3)18-8-19-15(13)20-12-7-10(21-4)5-6-11(12)16/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyLXGBNTUENHDRDD-UHFFFAOYSA-N
XLogP4.16
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80800982
4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine
CID 79918834
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
3-bromo-4-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]benzonitrile
CID 107795200
4-N-(2-bromo-3-chlorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 103481929
6-chloro-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63734235
N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride
CID 22140737
4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80769342
3-bromo-2-N-(2-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 79534385
4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80783013
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80902212
4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 107580847

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80829815) is 4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(Nc2cc(OC)ccc2Br)c1C(C)C.
What is the InChIKey of 4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is LXGBNTUENHDRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-9(2)13-14(17-3)18-8-19-15(13)20-12-7-10(21-4)5-6-11(12)16/h5-9H,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 351.25 g/mol, XLogP of 4.16, 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-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80829815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).