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

C10H8N4O — CID 116865160

IUPAC4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
SMILESCc1ccc(-c2ncc(C#N)c(N)n2)o1
InChIInChI=1S/C10H8N4O/c1-6-2-3-8(15-6)10-13-5-7(4-11)9(12)14-10/h2-3,5H,1H3,(H2,12,13,14)
InChIKeyHDXZVTUFAVIGRR-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.50
Rot. Bonds1

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

4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile (PubChem CID 116865160) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
PubChem CID116865160
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
SMILESCc1ccc(-c2ncc(C#N)c(N)n2)o1
InChIInChI=1S/C10H8N4O/c1-6-2-3-8(15-6)10-13-5-7(4-11)9(12)14-10/h2-3,5H,1H3,(H2,12,13,14)
InChIKeyHDXZVTUFAVIGRR-UHFFFAOYSA-N
XLogP1.50
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile
CID 53407869
4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
CID 116865128
2-amino-4-(5-methylfuran-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 2047114
4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile
CID 116865150
4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile
CID 114755552
4-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carbonitrile
CID 116865137
3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 155227739
5-bromo-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 66297025
4-amino-2-(5-chloro-2-fluorophenyl)pyrimidine-5-carbonitrile
CID 116865141
(6S)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2020042
7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
CID 161139872
4-amino-2-[2-(4-methylphenoxy)ethyl]pyrimidine-5-carbonitrile
CID 82168391

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile (CID 116865160) is 4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile is Cc1ccc(-c2ncc(C#N)c(N)n2)o1.
What is the InChIKey of 4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is HDXZVTUFAVIGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-6-2-3-8(15-6)10-13-5-7(4-11)9(12)14-10/h2-3,5H,1H3,(H2,12,13,14).
What are the key properties of 4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile?
4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 200.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 116865160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).