2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile

C17H15N5O — CID 18507576

IUPAC2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile
SMILESCc1ccoc1-c1nc(N)nc(NCc2ccccc2)c1C#N
InChIInChI=1S/C17H15N5O/c1-11-7-8-23-15(11)14-13(9-18)16(22-17(19)21-14)20-10-12-5-3-2-4-6-12/h2-8H,10H2,1H3,(H3,19,20,21,22)
InChIKeyQJPIRKOOWKJKIN-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.11
Rot. Bonds4

About 2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile

2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile (PubChem CID 18507576) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile
PubChem CID18507576
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile
SMILESCc1ccoc1-c1nc(N)nc(NCc2ccccc2)c1C#N
InChIInChI=1S/C17H15N5O/c1-11-7-8-23-15(11)14-13(9-18)16(22-17(19)21-14)20-10-12-5-3-2-4-6-12/h2-8H,10H2,1H3,(H3,19,20,21,22)
InChIKeyQJPIRKOOWKJKIN-UHFFFAOYSA-N
XLogP3.11
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile (CID 18507576) is 2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile is Cc1ccoc1-c1nc(N)nc(NCc2ccccc2)c1C#N.
What is the InChIKey of 2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is QJPIRKOOWKJKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-7-8-23-15(11)14-13(9-18)16(22-17(19)21-14)20-10-12-5-3-2-4-6-12/h2-8H,10H2,1H3,(H3,19,20,21,22).
What are the key properties of 2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile?
2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 18507576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).