2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol

C18H12ClN3O2 — CID 137228583

IUPAC2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol
SMILESNc1nc(-c2ccc(Cl)cc2)cc(-c2oc3ccccc3c2O)n1
InChIInChI=1S/C18H12ClN3O2/c19-11-7-5-10(6-8-11)13-9-14(22-18(20)21-13)17-16(23)12-3-1-2-4-15(12)24-17/h1-9,23H,(H2,20,21,22)
InChIKeyVUGDAIBFXXVIRP-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.50
Rot. Bonds2

About 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol

2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol (PubChem CID 137228583) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol.

Molecular Properties

Compound Name2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol
PubChem CID137228583
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol
SMILESNc1nc(-c2ccc(Cl)cc2)cc(-c2oc3ccccc3c2O)n1
InChIInChI=1S/C18H12ClN3O2/c19-11-7-5-10(6-8-11)13-9-14(22-18(20)21-13)17-16(23)12-3-1-2-4-15(12)24-17/h1-9,23H,(H2,20,21,22)
InChIKeyVUGDAIBFXXVIRP-UHFFFAOYSA-N
XLogP4.50
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol
CID 154926505
3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one
CID 135479945
4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine
CID 123323218
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
2-(4-chlorophenyl)-1,3-benzoxazin-4-one
CID 754553
1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline
CID 167537928
4-[[4-(2-amino-6-phenylpyrimidin-4-yl)phenoxy]methyl]-6-chlorochromen-2-one
CID 46702559
4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 11381541
2-(4-chlorophenyl)-1-benzofuran-4-ol
CID 71743775
[2-(4-chlorophenyl)quinolin-4-yl]methanamine;hydrochloride
CID 82025623
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
3-acetyl-2-(4-chlorophenyl)chromen-4-one
CID 5272640

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol?
The IUPAC name of 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol (CID 137228583) is 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol.
What is the SMILES notation for 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol?
The canonical SMILES for 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol is Nc1nc(-c2ccc(Cl)cc2)cc(-c2oc3ccccc3c2O)n1.
What is the InChIKey of 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol?
The InChIKey is VUGDAIBFXXVIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-11-7-5-10(6-8-11)13-9-14(22-18(20)21-13)17-16(23)12-3-1-2-4-15(12)24-17/h1-9,23H,(H2,20,21,22).
What are the key properties of 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol?
2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol has a molecular weight of 337.77 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol is sourced from PubChem (CID 137228583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).