1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione

C14H15N3O3 — CID 18567458

IUPAC1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESC#CCn1c(=O)c2c(OCCC)ccnc2n(C)c1=O
InChIInChI=1S/C14H15N3O3/c1-4-8-17-13(18)11-10(20-9-5-2)6-7-15-12(11)16(3)14(17)19/h1,6-7H,5,8-9H2,2-3H3
InChIKeyDSTFNCPVVFSOJX-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.52
Rot. Bonds4

About 1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione

1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 18567458) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID18567458
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESC#CCn1c(=O)c2c(OCCC)ccnc2n(C)c1=O
InChIInChI=1S/C14H15N3O3/c1-4-8-17-13(18)11-10(20-9-5-2)6-7-15-12(11)16(3)14(17)19/h1,6-7H,5,8-9H2,2-3H3
InChIKeyDSTFNCPVVFSOJX-UHFFFAOYSA-N
XLogP0.52
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione
CID 18567379
1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16801624
1-methyl-3-(3-methylbutyl)-5-propoxypyrido[2,3-d]pyrimidine-2,4-dione
CID 16801618
5-methoxy-1-methyl-3-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 18567251
2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 16801622
2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18567398
3,7-dimethyl-8-(4-methylphenyl)-1-prop-2-ynylpurine-2,6-dione
CID 89243440
8-(2-methoxyphenyl)-3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione
CID 88896689
5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 18567268
2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 26841382
8-[(E)-2-(3-aminophenyl)ethenyl]-3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione
CID 10854256
N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 26841363

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione (CID 18567458) is 1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione is C#CCn1c(=O)c2c(OCCC)ccnc2n(C)c1=O.
What is the InChIKey of 1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DSTFNCPVVFSOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-4-8-17-13(18)11-10(20-9-5-2)6-7-15-12(11)16(3)14(17)19/h1,6-7H,5,8-9H2,2-3H3.
What are the key properties of 1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione?
1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 273.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 18567458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).