pyrido[4,3-d]pyrimidin-5-ylmethanamine

C8H8N4 — CID 82415563

IUPACpyrido[4,3-d]pyrimidin-5-ylmethanamine
SMILESNCc1nccc2ncncc12
InChIInChI=1S/C8H8N4/c9-3-8-6-4-10-5-12-7(6)1-2-11-8/h1-2,4-5H,3,9H2
InChIKeyCSWIEUUVGDRAFM-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.48
Rot. Bonds1

About pyrido[4,3-d]pyrimidin-5-ylmethanamine

pyrido[4,3-d]pyrimidin-5-ylmethanamine (PubChem CID 82415563) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is pyrido[4,3-d]pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Namepyrido[4,3-d]pyrimidin-5-ylmethanamine
PubChem CID82415563
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Namepyrido[4,3-d]pyrimidin-5-ylmethanamine
SMILESNCc1nccc2ncncc12
InChIInChI=1S/C8H8N4/c9-3-8-6-4-10-5-12-7(6)1-2-11-8/h1-2,4-5H,3,9H2
InChIKeyCSWIEUUVGDRAFM-UHFFFAOYSA-N
XLogP0.48
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrido[4,3-d]pyrimidin-5-ylmethanamine?
The IUPAC name of pyrido[4,3-d]pyrimidin-5-ylmethanamine (CID 82415563) is pyrido[4,3-d]pyrimidin-5-ylmethanamine.
What is the SMILES notation for pyrido[4,3-d]pyrimidin-5-ylmethanamine?
The canonical SMILES for pyrido[4,3-d]pyrimidin-5-ylmethanamine is NCc1nccc2ncncc12.
What is the InChIKey of pyrido[4,3-d]pyrimidin-5-ylmethanamine?
The InChIKey is CSWIEUUVGDRAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-3-8-6-4-10-5-12-7(6)1-2-11-8/h1-2,4-5H,3,9H2.
What are the key properties of pyrido[4,3-d]pyrimidin-5-ylmethanamine?
pyrido[4,3-d]pyrimidin-5-ylmethanamine has a molecular weight of 160.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[4,3-d]pyrimidin-5-ylmethanamine is sourced from PubChem (CID 82415563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).