2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile

C18H14N4O2 — CID 69289830

IUPAC2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile
SMILESN#Cc1c(OCC=Cc2ccccc2)nc(N)nc1-c1ccco1
InChIInChI=1S/C18H14N4O2/c19-12-14-16(15-9-5-10-23-15)21-18(20)22-17(14)24-11-4-8-13-6-2-1-3-7-13/h1-10H,11H2,(H2,20,21,22)
InChIKeyUFQIWUHUQYFDCC-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.28
Rot. Bonds5

About 2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile

2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile (PubChem CID 69289830) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile
PubChem CID69289830
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile
SMILESN#Cc1c(OCC=Cc2ccccc2)nc(N)nc1-c1ccco1
InChIInChI=1S/C18H14N4O2/c19-12-14-16(15-9-5-10-23-15)21-18(20)22-17(14)24-11-4-8-13-6-2-1-3-7-13/h1-10H,11H2,(H2,20,21,22)
InChIKeyUFQIWUHUQYFDCC-UHFFFAOYSA-N
XLogP3.28
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
CID 80867240
4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine
CID 70004554
2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile
CID 70079385
2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane
CID 156716151
5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
CID 23020456
2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 18507302
2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile
CID 90746040
8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 42537781
2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine
CID 116797758
5-chloro-4-(furan-2-yl)-6-(pyridin-2-ylmethoxy)pyrimidin-2-amine
CID 18507689
4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
CID 80911860
4-(furan-2-yl)-5-phenylpyrimidin-2-amine
CID 134140522

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile (CID 69289830) is 2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile is N#Cc1c(OCC=Cc2ccccc2)nc(N)nc1-c1ccco1.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile?
The InChIKey is UFQIWUHUQYFDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-12-14-16(15-9-5-10-23-15)21-18(20)22-17(14)24-11-4-8-13-6-2-1-3-7-13/h1-10H,11H2,(H2,20,21,22).
What are the key properties of 2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile?
2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile has a molecular weight of 318.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile is sourced from PubChem (CID 69289830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).