4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

C18H17BrN4O — CID 112930517

IUPAC4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(C)cc(Nc2ccccc2Br)n1
InChIInChI=1S/C18H17BrN4O/c1-12-11-17(21-14-8-4-3-7-13(14)19)23-18(20-12)22-15-9-5-6-10-16(15)24-2/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyLYQDRNYHPALXDS-UHFFFAOYSA-N
MW385.27 g/mol
LogP5.04
Rot. Bonds5

About 4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930517) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930517
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(C)cc(Nc2ccccc2Br)n1
InChIInChI=1S/C18H17BrN4O/c1-12-11-17(21-14-8-4-3-7-13(14)19)23-18(20-12)22-15-9-5-6-10-16(15)24-2/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyLYQDRNYHPALXDS-UHFFFAOYSA-N
XLogP5.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.27
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930539
4-N-(2-methoxyphenyl)-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112930468
2-N-(4-chloro-2-methylphenyl)-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930048
2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928595
4-N-(2-methoxyphenyl)-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112930435
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112930956
4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930545
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927111
4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine
CID 112924833
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697
4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908202
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930478

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 112930517) is 4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1ccccc1Nc1nc(C)cc(Nc2ccccc2Br)n1.
What is the InChIKey of 4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is LYQDRNYHPALXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c1-12-11-17(21-14-8-4-3-7-13(14)19)23-18(20-12)22-15-9-5-6-10-16(15)24-2/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 385.27 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).