PPNWJEWIPMPJPH-UHFFFAOYSA-N

Name: PPNWJEWIPMPJPH-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₅N₃O₄ — CID 118875551

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione

SMILESCC(C)Oc1cnc2c(c1Cc1ccccc1)c(=O)n(CCCO)c(=O)n2C

InChIInChI=1S/C21H25N3O4/c1-14(2)28-17-13-22-19-18(16(17)12-15-8-5-4-6-9-15)20(26)24(10-7-11-25)21(27)23(19)3/h4-6,8-9,13-14,25H,7,10-12H2,1-3H3

InChIKeyPPNWJEWIPMPJPH-UHFFFAOYSA-N

MW383.45 g/mol

LogP1.86

Rot. Bonds7

About PPNWJEWIPMPJPH-UHFFFAOYSA-N

PPNWJEWIPMPJPH-UHFFFAOYSA-N (PubChem CID 118875551) has the molecular formula C₂₁H₂₅N₃O₄ and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name	PPNWJEWIPMPJPH-UHFFFAOYSA-N
PubChem CID	118875551
Molecular Formula	C₂₁H₂₅N₃O₄
Molecular Weight	383.45 g/mol
Exact Mass	383.18
IUPAC Name	5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione
SMILES	CC(C)Oc1cnc2c(c1Cc1ccccc1)c(=O)n(CCCO)c(=O)n2C
InChI	InChI=1S/C21H25N3O4/c1-14(2)28-17-13-22-19-18(16(17)12-15-8-5-4-6-9-15)20(26)24(10-7-11-25)21(27)23(19)3/h4-6,8-9,13-14,25H,7,10-12H2,1-3H3
InChIKey	PPNWJEWIPMPJPH-UHFFFAOYSA-N
XLogP	1.86
TPSA	86.35 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of PPNWJEWIPMPJPH-UHFFFAOYSA-N?

The IUPAC name of PPNWJEWIPMPJPH-UHFFFAOYSA-N (CID 118875551) is 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for PPNWJEWIPMPJPH-UHFFFAOYSA-N?

The canonical SMILES for PPNWJEWIPMPJPH-UHFFFAOYSA-N is CC(C)Oc1cnc2c(c1Cc1ccccc1)c(=O)n(CCCO)c(=O)n2C.

What is the InChIKey of PPNWJEWIPMPJPH-UHFFFAOYSA-N?

The InChIKey is PPNWJEWIPMPJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14(2)28-17-13-22-19-18(16(17)12-15-8-5-4-6-9-15)20(26)24(10-7-11-25)21(27)23(19)3/h4-6,8-9,13-14,25H,7,10-12H2,1-3H3.

What are the key properties of PPNWJEWIPMPJPH-UHFFFAOYSA-N?

PPNWJEWIPMPJPH-UHFFFAOYSA-N has a molecular weight of 383.45 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for PPNWJEWIPMPJPH-UHFFFAOYSA-N is sourced from PubChem (CID 118875551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118875551 — identifiers, structure, computed properties (public domain)

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