4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

C14H17BrN4O2 — CID 82859543

IUPAC4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCOc1cc(Br)cc(Nc2ncnc(OC(C)C)c2N)c1
InChIInChI=1S/C14H17BrN4O2/c1-8(2)21-14-12(16)13(17-7-18-14)19-10-4-9(15)5-11(6-10)20-3/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyRKSALSVVEVNOPM-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.36
Rot. Bonds5

About 4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 82859543) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID82859543
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCOc1cc(Br)cc(Nc2ncnc(OC(C)C)c2N)c1
InChIInChI=1S/C14H17BrN4O2/c1-8(2)21-14-12(16)13(17-7-18-14)19-10-4-9(15)5-11(6-10)20-3/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyRKSALSVVEVNOPM-UHFFFAOYSA-N
XLogP3.36
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-bromo-5-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 107581915
4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104775547
4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284
2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine
CID 82857328
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145475
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152519
4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104722386
4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
CID 81321704
5-N-(3-bromo-5-methoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 82857326
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 82857949
N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine
CID 82860927

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (CID 82859543) is 4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is COc1cc(Br)cc(Nc2ncnc(OC(C)C)c2N)c1.
What is the InChIKey of 4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is RKSALSVVEVNOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-8(2)21-14-12(16)13(17-7-18-14)19-10-4-9(15)5-11(6-10)20-3/h4-8H,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 353.22 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 82859543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).