2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

C19H19BrN4O — CID 112895439

IUPAC2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2ccnc(Nc3cccc(Br)c3)n2)cc1
InChIInChI=1S/C19H19BrN4O/c1-25-17-7-5-14(6-8-17)9-11-21-18-10-12-22-19(24-18)23-16-4-2-3-15(20)13-16/h2-8,10,12-13H,9,11H2,1H3,(H2,21,22,23,24)
InChIKeyFCCLETXHZPKNRA-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.65
Rot. Bonds7

About 2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112895439) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID112895439
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2ccnc(Nc3cccc(Br)c3)n2)cc1
InChIInChI=1S/C19H19BrN4O/c1-25-17-7-5-14(6-8-17)9-11-21-18-10-12-22-19(24-18)23-16-4-2-3-15(20)13-16/h2-8,10,12-13H,9,11H2,1H3,(H2,21,22,23,24)
InChIKeyFCCLETXHZPKNRA-UHFFFAOYSA-N
XLogP4.65
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-fluorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895437
4-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895526
2-N-(3-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885810
2-N-(3-bromophenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899325
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112894171
4-N-[2-(3-fluorophenyl)ethyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 69185641
2-N-(2,3-dichlorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895451
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112895537
2-N-isoquinolin-1-yl-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 117083919
methyl 3-[[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzoate
CID 112892481

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (CID 112895439) is 2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is COc1ccc(CCNc2ccnc(Nc3cccc(Br)c3)n2)cc1.
What is the InChIKey of 2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is FCCLETXHZPKNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-25-17-7-5-14(6-8-17)9-11-21-18-10-12-22-19(24-18)23-16-4-2-3-15(20)13-16/h2-8,10,12-13H,9,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 399.29 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112895439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).