4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine

C17H19N7 — CID 59213363

IUPAC4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2nc(N3CCCCC3)nc3ccccc23)n1
InChIInChI=1S/C17H19N7/c18-16-19-9-8-14(22-16)21-15-12-6-2-3-7-13(12)20-17(23-15)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-11H2,(H3,18,19,20,21,22,23)
InChIKeyNSZDDXPHODLUOM-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.74
Rot. Bonds3

About 4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine

4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine (PubChem CID 59213363) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine
PubChem CID59213363
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2nc(N3CCCCC3)nc3ccccc23)n1
InChIInChI=1S/C17H19N7/c18-16-19-9-8-14(22-16)21-15-12-6-2-3-7-13(12)20-17(23-15)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-11H2,(H3,18,19,20,21,22,23)
InChIKeyNSZDDXPHODLUOM-UHFFFAOYSA-N
XLogP2.74
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine (CID 59213363) is 4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine is Nc1nccc(Nc2nc(N3CCCCC3)nc3ccccc23)n1.
What is the InChIKey of 4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is NSZDDXPHODLUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c18-16-19-9-8-14(22-16)21-15-12-6-2-3-7-13(12)20-17(23-15)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-11H2,(H3,18,19,20,21,22,23).
What are the key properties of 4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine?
4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 321.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59213363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).