2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile

C17H14BrN5O2 — CID 18507415

IUPAC2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile
SMILESCc1cnc(COc2nc(N)nc(-c3cc(Br)co3)c2C#N)c(C)c1
InChIInChI=1S/C17H14BrN5O2/c1-9-3-10(2)13(21-6-9)8-25-16-12(5-19)15(22-17(20)23-16)14-4-11(18)7-24-14/h3-4,6-7H,8H2,1-2H3,(H2,20,22,23)
InChIKeyUUKMEWLKJRPLMY-UHFFFAOYSA-N
MW400.24 g/mol
LogP3.54
Rot. Bonds4

About 2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile

2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile (PubChem CID 18507415) has the molecular formula C17H14BrN5O2 and a molecular weight of 400.24 g/mol. Its IUPAC name is 2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile
PubChem CID18507415
Molecular FormulaC17H14BrN5O2
Molecular Weight400.24 g/mol
Exact Mass399.03
IUPAC Name2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile
SMILESCc1cnc(COc2nc(N)nc(-c3cc(Br)co3)c2C#N)c(C)c1
InChIInChI=1S/C17H14BrN5O2/c1-9-3-10(2)13(21-6-9)8-25-16-12(5-19)15(22-17(20)23-16)14-4-11(18)7-24-14/h3-4,6-7H,8H2,1-2H3,(H2,20,22,23)
InChIKeyUUKMEWLKJRPLMY-UHFFFAOYSA-N
XLogP3.54
TPSA110.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile
CID 10156952
2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 18507302
2,4-diamino-6-(4-bromo-2-methylphenyl)pyrimidine-5-carbonitrile
CID 169396212
2,4-diamino-6-(2,6-dimethyl-4-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
CID 169398835
2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile
CID 69289830
2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile
CID 169396136
2,4-diamino-6-(3,5-dibromo-2-propoxyphenyl)pyrimidine-5-carbonitrile
CID 169398101
2,4-diamino-6-(3-bromo-4-fluoro-2,6-dimethylphenyl)pyrimidine-5-carbonitrile
CID 169398682
2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397375
2-amino-6-bromo-4-methylpyridine-3-carbonitrile
CID 165386870
2,4-diamino-6-[5-bromo-2-(cyanomethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396785
2,4-diamino-6-[3-[(4-bromophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397384

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile (CID 18507415) is 2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile is Cc1cnc(COc2nc(N)nc(-c3cc(Br)co3)c2C#N)c(C)c1.
What is the InChIKey of 2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile?
The InChIKey is UUKMEWLKJRPLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O2/c1-9-3-10(2)13(21-6-9)8-25-16-12(5-19)15(22-17(20)23-16)14-4-11(18)7-24-14/h3-4,6-7H,8H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile?
2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile has a molecular weight of 400.24 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromofuran-2-yl)-6-[(3,5-dimethyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile is sourced from PubChem (CID 18507415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).