5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine

C15H19BrN4O — CID 80829894

IUPAC5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1CC(C)N(C)c1nc(N)ncc1Br
InChIInChI=1S/C15H19BrN4O/c1-10(8-11-6-4-5-7-13(11)21-3)20(2)14-12(16)9-18-15(17)19-14/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19)
InChIKeyJWRGWUXRWLSQMC-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.90
Rot. Bonds5

About 5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80829894) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID80829894
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1CC(C)N(C)c1nc(N)ncc1Br
InChIInChI=1S/C15H19BrN4O/c1-10(8-11-6-4-5-7-13(11)21-3)20(2)14-12(16)9-18-15(17)19-14/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19)
InChIKeyJWRGWUXRWLSQMC-UHFFFAOYSA-N
XLogP2.90
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methylpyrazine-2,5-diamine
CID 80653405
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80829895
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine
CID 65485063
5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine
CID 115984767
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile
CID 80505836
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile
CID 65488782
2-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-4-amine
CID 65484470
4-iodo-1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbenzene-1,2-diamine
CID 66080150
1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol
CID 65488479
[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-4-pyridinyl]methanol
CID 65487641
5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 65485261
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine (CID 80829894) is 5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine is COc1ccccc1CC(C)N(C)c1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is JWRGWUXRWLSQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-10(8-11-6-4-5-7-13(11)21-3)20(2)14-12(16)9-18-15(17)19-14/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 351.25 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80829894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).