4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol

C14H14BrN3O2 — CID 135978623

IUPAC4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol
SMILESCOc1cc(-c2nc(N)c3c(n2)CCC3)cc(Br)c1O
InChIInChI=1S/C14H14BrN3O2/c1-20-11-6-7(5-9(15)12(11)19)14-17-10-4-2-3-8(10)13(16)18-14/h5-6,19H,2-4H2,1H3,(H2,16,17,18)
InChIKeyVLNSKSNLNXLHSE-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.69
Rot. Bonds2

About 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol

4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol (PubChem CID 135978623) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol.

Molecular Properties

Compound Name4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol
PubChem CID135978623
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol
SMILESCOc1cc(-c2nc(N)c3c(n2)CCC3)cc(Br)c1O
InChIInChI=1S/C14H14BrN3O2/c1-20-11-6-7(5-9(15)12(11)19)14-17-10-4-2-3-8(10)13(16)18-14/h5-6,19H,2-4H2,1H3,(H2,16,17,18)
InChIKeyVLNSKSNLNXLHSE-UHFFFAOYSA-N
XLogP2.69
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol with MolForge

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107922821
2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 105410395
2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114330940
4-(4-amino-6-ethylpyrimidin-2-yl)-2-bromo-6-methoxyphenol
CID 135962118
4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol
CID 136927531
2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 101176072
2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62202448
2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351933
2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62500115
2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103374994
2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 102843827
2-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107105157

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol?
The IUPAC name of 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol (CID 135978623) is 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol.
What is the SMILES notation for 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol?
The canonical SMILES for 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol is COc1cc(-c2nc(N)c3c(n2)CCC3)cc(Br)c1O.
What is the InChIKey of 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol?
The InChIKey is VLNSKSNLNXLHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-11-6-7(5-9(15)12(11)19)14-17-10-4-2-3-8(10)13(16)18-14/h5-6,19H,2-4H2,1H3,(H2,16,17,18).
What are the key properties of 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol?
4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol has a molecular weight of 336.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol is sourced from PubChem (CID 135978623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).