2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile

C19H19N5 — CID 121255781

IUPAC2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile
SMILESCC(C)CC(N)c1nc(C#N)c2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C19H19N5/c1-12(2)9-16(21)19-23-17-4-3-14(13-5-7-22-8-6-13)10-15(17)18(11-20)24-19/h3-8,10,12,16H,9,21H2,1-2H3
InChIKeyGUCCPKKLISTAQR-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.61
Rot. Bonds4

About 2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile

2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile (PubChem CID 121255781) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile
PubChem CID121255781
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile
SMILESCC(C)CC(N)c1nc(C#N)c2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C19H19N5/c1-12(2)9-16(21)19-23-17-4-3-14(13-5-7-22-8-6-13)10-15(17)18(11-20)24-19/h3-8,10,12,16H,9,21H2,1-2H3
InChIKeyGUCCPKKLISTAQR-UHFFFAOYSA-N
XLogP3.61
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile?
The IUPAC name of 2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile (CID 121255781) is 2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile is CC(C)CC(N)c1nc(C#N)c2cc(-c3ccncc3)ccc2n1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile?
The InChIKey is GUCCPKKLISTAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-12(2)9-16(21)19-23-17-4-3-14(13-5-7-22-8-6-13)10-15(17)18(11-20)24-19/h3-8,10,12,16H,9,21H2,1-2H3.
What are the key properties of 2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile?
2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile has a molecular weight of 317.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-6-pyridin-4-ylquinazoline-4-carbonitrile is sourced from PubChem (CID 121255781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).