2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile

C12H12N4O2 — CID 18507302

IUPAC2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
SMILESCCOc1nc(N)nc(-c2ccc(C)o2)c1C#N
InChIInChI=1S/C12H12N4O2/c1-3-17-11-8(6-13)10(15-12(14)16-11)9-5-4-7(2)18-9/h4-5H,3H2,1-2H3,(H2,14,15,16)
InChIKeySCCPENZIZAILFF-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.90
Rot. Bonds3

About 2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile

2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile (PubChem CID 18507302) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
PubChem CID18507302
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
SMILESCCOc1nc(N)nc(-c2ccc(C)o2)c1C#N
InChIInChI=1S/C12H12N4O2/c1-3-17-11-8(6-13)10(15-12(14)16-11)9-5-4-7(2)18-9/h4-5H,3H2,1-2H3,(H2,14,15,16)
InChIKeySCCPENZIZAILFF-UHFFFAOYSA-N
XLogP1.90
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(5-bromofuran-2-yl)-6-[(5-methyl-2-pyridinyl)methoxy]pyrimidine-5-carbonitrile
CID 10156952
6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 155446033
4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile
CID 70079353
2-amino-4-ethoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
CID 22004005
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
7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
CID 161139872
3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 155227739
2,4-diamino-6-(3-ethoxy-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396033
2-amino-6-ethoxy-4-(2-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 137301601
4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 116865160
2,4-diamino-6-(4-butoxy-3-methylphenyl)pyrimidine-5-carbonitrile
CID 169396506

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile (CID 18507302) is 2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile is CCOc1nc(N)nc(-c2ccc(C)o2)c1C#N.
What is the InChIKey of 2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is SCCPENZIZAILFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-3-17-11-8(6-13)10(15-12(14)16-11)9-5-4-7(2)18-9/h4-5H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile?
2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 244.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 18507302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).