2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine

C19H19BrN4O — CID 112892194

IUPAC2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1ccnc(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C19H19BrN4O/c1-13-7-8-15(11-16(13)20)23-19-21-10-9-18(24-19)22-12-14-5-3-4-6-17(14)25-2/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyPXWCAYMNMUYPIZ-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.91
Rot. Bonds6

About 2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine

2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112892194) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112892194
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1ccnc(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C19H19BrN4O/c1-13-7-8-15(11-16(13)20)23-19-21-10-9-18(24-19)22-12-14-5-3-4-6-17(14)25-2/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyPXWCAYMNMUYPIZ-UHFFFAOYSA-N
XLogP4.91
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892179
4-N-[(2-methoxyphenyl)methyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112892223
2-N-(4-ethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892170
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112892157
2-N-(4-ethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892199
2-N-(4-bromophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894961
2-N-(3-bromo-4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893750
1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone
CID 112892209
2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892168
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854
4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892366
2-N-(4-bromophenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889782

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 112892194) is 2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1ccccc1CNc1ccnc(Nc2ccc(C)c(Br)c2)n1.
What is the InChIKey of 2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is PXWCAYMNMUYPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-13-7-8-15(11-16(13)20)23-19-21-10-9-18(24-19)22-12-14-5-3-4-6-17(14)25-2/h3-11H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 399.29 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112892194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).