2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile

C11H12N6 — CID 170188376

IUPAC2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
SMILESCCCNc1nc(C#N)cc2cnc(N)nc12
InChIInChI=1S/C11H12N6/c1-2-3-14-10-9-7(4-8(5-12)16-10)6-15-11(13)17-9/h4,6H,2-3H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyFZQOCPAAHWTWGE-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile

2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile (PubChem CID 170188376) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
PubChem CID170188376
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
SMILESCCCNc1nc(C#N)cc2cnc(N)nc12
InChIInChI=1S/C11H12N6/c1-2-3-14-10-9-7(4-8(5-12)16-10)6-15-11(13)17-9/h4,6H,2-3H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyFZQOCPAAHWTWGE-UHFFFAOYSA-N
XLogP1.30
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile (CID 170188376) is 2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile is CCCNc1nc(C#N)cc2cnc(N)nc12.
What is the InChIKey of 2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile?
The InChIKey is FZQOCPAAHWTWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-2-3-14-10-9-7(4-8(5-12)16-10)6-15-11(13)17-9/h4,6H,2-3H2,1H3,(H,14,16)(H2,13,15,17).
What are the key properties of 2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile?
2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(propylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 170188376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).