2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile

C17H15N5O2 — CID 18507326

IUPAC2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile
SMILESCOc1ccc(CNc2nc(N)nc(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C17H15N5O2/c1-23-12-6-4-11(5-7-12)10-20-16-13(9-18)15(21-17(19)22-16)14-3-2-8-24-14/h2-8H,10H2,1H3,(H3,19,20,21,22)
InChIKeyAXZBQFFIFIVWAE-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.81
Rot. Bonds5

About 2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile

2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile (PubChem CID 18507326) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile
PubChem CID18507326
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile
SMILESCOc1ccc(CNc2nc(N)nc(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C17H15N5O2/c1-23-12-6-4-11(5-7-12)10-20-16-13(9-18)15(21-17(19)22-16)14-3-2-8-24-14/h2-8H,10H2,1H3,(H3,19,20,21,22)
InChIKeyAXZBQFFIFIVWAE-UHFFFAOYSA-N
XLogP2.81
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile (CID 18507326) is 2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile is COc1ccc(CNc2nc(N)nc(-c3ccco3)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile?
The InChIKey is AXZBQFFIFIVWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-23-12-6-4-11(5-7-12)10-20-16-13(9-18)15(21-17(19)22-16)14-3-2-8-24-14/h2-8H,10H2,1H3,(H3,19,20,21,22).
What are the key properties of 2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile?
2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile has a molecular weight of 321.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 18507326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).