4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine

C18H17BrN4O — CID 112860302

IUPAC4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3ccccc3Br)ncn2)cc1
InChIInChI=1S/C18H17BrN4O/c1-24-14-8-6-13(7-9-14)11-20-17-10-18(22-12-21-17)23-16-5-3-2-4-15(16)19/h2-10,12H,11H2,1H3,(H2,20,21,22,23)
InChIKeyGQCBTTOBHOUXID-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.60
Rot. Bonds6

About 4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine

4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112860302) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112860302
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3ccccc3Br)ncn2)cc1
InChIInChI=1S/C18H17BrN4O/c1-24-14-8-6-13(7-9-14)11-20-17-10-18(22-12-21-17)23-16-5-3-2-4-15(16)19/h2-10,12H,11H2,1H3,(H2,20,21,22,23)
InChIKeyGQCBTTOBHOUXID-UHFFFAOYSA-N
XLogP4.60
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860320
4-N-(2-bromophenyl)-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861665
4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860311
6-N-[(4-methoxyphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112860328
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112860011
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
4-N-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860263
4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861730
methyl 4-chloro-3-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112860294
6-N-[2-(dimethylamino)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112857387
6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112866380

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine (CID 112860302) is 4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine is COc1ccc(CNc2cc(Nc3ccccc3Br)ncn2)cc1.
What is the InChIKey of 4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is GQCBTTOBHOUXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c1-24-14-8-6-13(7-9-14)11-20-17-10-18(22-12-21-17)23-16-5-3-2-4-15(16)19/h2-10,12H,11H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 385.27 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112860302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).