9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C20H19N7O3 — CID 118329014

IUPAC9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCNCC2)c2c1cnc1ccc(-c3cnc(CO)nc3)nc12
InChIInChI=1S/C20H19N7O3/c28-10-16-23-7-11(8-24-16)14-1-2-15-17(25-14)18-13(9-22-15)19(29)26-20(30)27(18)12-3-5-21-6-4-12/h1-2,7-9,12,21,28H,3-6,10H2,(H,26,29,30)
InChIKeyHHVAZNPCZKQCLQ-UHFFFAOYSA-N
MW405.42 g/mol
LogP0.51
Rot. Bonds3

About 9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 118329014) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID118329014
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCNCC2)c2c1cnc1ccc(-c3cnc(CO)nc3)nc12
InChIInChI=1S/C20H19N7O3/c28-10-16-23-7-11(8-24-16)14-1-2-15-17(25-14)18-13(9-22-15)19(29)26-20(30)27(18)12-3-5-21-6-4-12/h1-2,7-9,12,21,28H,3-6,10H2,(H,26,29,30)
InChIKeyHHVAZNPCZKQCLQ-UHFFFAOYSA-N
XLogP0.51
TPSA138.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 118329014) is 9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione is O=c1[nH]c(=O)n(C2CCNCC2)c2c1cnc1ccc(-c3cnc(CO)nc3)nc12.
What is the InChIKey of 9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is HHVAZNPCZKQCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c28-10-16-23-7-11(8-24-16)14-1-2-15-17(25-14)18-13(9-22-15)19(29)26-20(30)27(18)12-3-5-21-6-4-12/h1-2,7-9,12,21,28H,3-6,10H2,(H,26,29,30).
What are the key properties of 9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 405.42 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 118329014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).