4-(2-methylpropylamino)quinazoline-6-carbonitrile

C13H14N4 — CID 56942486

IUPAC4-(2-methylpropylamino)quinazoline-6-carbonitrile
SMILESCC(C)CNc1ncnc2ccc(C#N)cc12
InChIInChI=1S/C13H14N4/c1-9(2)7-15-13-11-5-10(6-14)3-4-12(11)16-8-17-13/h3-5,8-9H,7H2,1-2H3,(H,15,16,17)
InChIKeyJMLJJVBAQPTMHS-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.57
Rot. Bonds3

About 4-(2-methylpropylamino)quinazoline-6-carbonitrile

4-(2-methylpropylamino)quinazoline-6-carbonitrile (PubChem CID 56942486) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(2-methylpropylamino)quinazoline-6-carbonitrile.

Molecular Properties

Compound Name4-(2-methylpropylamino)quinazoline-6-carbonitrile
PubChem CID56942486
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-(2-methylpropylamino)quinazoline-6-carbonitrile
SMILESCC(C)CNc1ncnc2ccc(C#N)cc12
InChIInChI=1S/C13H14N4/c1-9(2)7-15-13-11-5-10(6-14)3-4-12(11)16-8-17-13/h3-5,8-9H,7H2,1-2H3,(H,15,16,17)
InChIKeyJMLJJVBAQPTMHS-UHFFFAOYSA-N
XLogP2.57
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylamino)quinazoline-6-carbonitrile?
The IUPAC name of 4-(2-methylpropylamino)quinazoline-6-carbonitrile (CID 56942486) is 4-(2-methylpropylamino)quinazoline-6-carbonitrile.
What is the SMILES notation for 4-(2-methylpropylamino)quinazoline-6-carbonitrile?
The canonical SMILES for 4-(2-methylpropylamino)quinazoline-6-carbonitrile is CC(C)CNc1ncnc2ccc(C#N)cc12.
What is the InChIKey of 4-(2-methylpropylamino)quinazoline-6-carbonitrile?
The InChIKey is JMLJJVBAQPTMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-9(2)7-15-13-11-5-10(6-14)3-4-12(11)16-8-17-13/h3-5,8-9H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-methylpropylamino)quinazoline-6-carbonitrile?
4-(2-methylpropylamino)quinazoline-6-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylamino)quinazoline-6-carbonitrile is sourced from PubChem (CID 56942486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).