2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile

C19H14N6O — CID 90746040

IUPAC2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccco2)nc(N)nc1C1(Cc2ccccn2)C=CC=N1
InChIInChI=1S/C19H14N6O/c20-12-14-16(15-6-3-10-26-15)24-18(21)25-17(14)19(7-4-9-23-19)11-13-5-1-2-8-22-13/h1-10H,11H2,(H2,21,24,25)
InChIKeyMGYQSZBVJFRQCW-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.66
Rot. Bonds4

About 2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile

2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile (PubChem CID 90746040) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile
PubChem CID90746040
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccco2)nc(N)nc1C1(Cc2ccccn2)C=CC=N1
InChIInChI=1S/C19H14N6O/c20-12-14-16(15-6-3-10-26-15)24-18(21)25-17(14)19(7-4-9-23-19)11-13-5-1-2-8-22-13/h1-10H,11H2,(H2,21,24,25)
InChIKeyMGYQSZBVJFRQCW-UHFFFAOYSA-N
XLogP2.66
TPSA113.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-4-(furan-2-yl)-6-(pyridin-2-ylmethoxy)pyrimidin-2-amine
CID 18507689
2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile
CID 69289830
6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine
CID 59835056
2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane
CID 156716151
2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile
CID 70079385
2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile
CID 18507326
5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
CID 23020456
2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile
CID 18507436
4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile
CID 70079353
4-(furan-2-yl)-5-pyridin-2-yl-1,3-thiazol-2-amine
CID 23144699
3-[[2-amino-6-(furan-2-yl)purin-9-yl]methyl]benzonitrile
CID 59835103
4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
CID 45028806

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile (CID 90746040) is 2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile is N#Cc1c(-c2ccco2)nc(N)nc1C1(Cc2ccccn2)C=CC=N1.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile?
The InChIKey is MGYQSZBVJFRQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c20-12-14-16(15-6-3-10-26-15)24-18(21)25-17(14)19(7-4-9-23-19)11-13-5-1-2-8-22-13/h1-10H,11H2,(H2,21,24,25).
What are the key properties of 2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile?
2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile has a molecular weight of 342.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 90746040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).