6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine

C12H16N6 — CID 540720

IUPAC6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2nc(N3CCCCC3)ccc2n1
InChIInChI=1S/C12H16N6/c13-11-10-8(15-12(14)17-11)4-5-9(16-10)18-6-2-1-3-7-18/h4-5H,1-3,6-7H2,(H4,13,14,15,17)
InChIKeyIMIFVIABNVGNKM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.18
Rot. Bonds1

About 6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine

6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 540720) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID540720
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2nc(N3CCCCC3)ccc2n1
InChIInChI=1S/C12H16N6/c13-11-10-8(15-12(14)17-11)4-5-9(16-10)18-6-2-1-3-7-18/h4-5H,1-3,6-7H2,(H4,13,14,15,17)
InChIKeyIMIFVIABNVGNKM-UHFFFAOYSA-N
XLogP1.18
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine (CID 540720) is 6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine is Nc1nc(N)c2nc(N3CCCCC3)ccc2n1.
What is the InChIKey of 6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is IMIFVIABNVGNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c13-11-10-8(15-12(14)17-11)4-5-9(16-10)18-6-2-1-3-7-18/h4-5H,1-3,6-7H2,(H4,13,14,15,17).
What are the key properties of 6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine?
6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 540720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).