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

C21H25N3O4 — CID 118875551

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

5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione (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 Name5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID118875551
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name5-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
XLogP1.86
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione (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 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione is CC(C)Oc1cnc2c(c1Cc1ccccc1)c(=O)n(CCCO)c(=O)n2C.
What is the InChIKey of 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione?
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 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione?
5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione 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 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 118875551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).