2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile

C16H12BrN5O2 — CID 10156952

IUPAC2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile
SMILESCc1ccc(COc2nc(N)nc(-c3ccc(Br)o3)c2C#N)nc1
InChIInChI=1S/C16H12BrN5O2/c1-9-2-3-10(20-7-9)8-23-15-11(6-18)14(21-16(19)22-15)12-4-5-13(17)24-12/h2-5,7H,8H2,1H3,(H2,19,21,22)
InChIKeyOUHWRJSFJYVEGA-UHFFFAOYSA-N
MW386.21 g/mol
LogP3.24
Rot. Bonds4

About 2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile

2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile (PubChem CID 10156952) has the molecular formula C16H12BrN5O2 and a molecular weight of 386.21 g/mol. Its IUPAC name is 2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile
PubChem CID10156952
Molecular FormulaC16H12BrN5O2
Molecular Weight386.21 g/mol
Exact Mass385.02
IUPAC Name2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile
SMILESCc1ccc(COc2nc(N)nc(-c3ccc(Br)o3)c2C#N)nc1
InChIInChI=1S/C16H12BrN5O2/c1-9-2-3-10(20-7-9)8-23-15-11(6-18)14(21-16(19)22-15)12-4-5-13(17)24-12/h2-5,7H,8H2,1H3,(H2,19,21,22)
InChIKeyOUHWRJSFJYVEGA-UHFFFAOYSA-N
XLogP3.24
TPSA110.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 18507302
2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile
CID 18507415
2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile
CID 69289830
2-(5-methyl-2-pyridinyl)acetonitrile
CID 583430
5-methyl-2-(phenoxymethyl)pyridine
CID 123739450
6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 155446033
2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile
CID 18507623
4-(5-bromofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 136694285
5-methyl-2-(propan-2-yloxymethyl)pyridine
CID 164949259
7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570609
2-amino-4-[2-(dimethylamino)ethoxy]-6-thiophen-2-ylpyrimidine-5-carbonitrile;hydrochloride
CID 18507665
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile (CID 10156952) is 2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile is Cc1ccc(COc2nc(N)nc(-c3ccc(Br)o3)c2C#N)nc1.
What is the InChIKey of 2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile?
The InChIKey is OUHWRJSFJYVEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5O2/c1-9-2-3-10(20-7-9)8-23-15-11(6-18)14(21-16(19)22-15)12-4-5-13(17)24-12/h2-5,7H,8H2,1H3,(H2,19,21,22).
What are the key properties of 2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile?
2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile has a molecular weight of 386.21 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile is sourced from PubChem (CID 10156952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).