1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C17H24N4O3 — CID 16801624

IUPAC1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCOc1ccnc2c1c(=O)n(CCN1CCCC1)c(=O)n2C
InChIInChI=1S/C17H24N4O3/c1-3-12-24-13-6-7-18-15-14(13)16(22)21(17(23)19(15)2)11-10-20-8-4-5-9-20/h6-7H,3-5,8-12H2,1-2H3
InChIKeySFZUKDVWADZYTI-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.98
Rot. Bonds6

About 1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16801624) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16801624
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCOc1ccnc2c1c(=O)n(CCN1CCCC1)c(=O)n2C
InChIInChI=1S/C17H24N4O3/c1-3-12-24-13-6-7-18-15-14(13)16(22)21(17(23)19(15)2)11-10-20-8-4-5-9-20/h6-7H,3-5,8-12H2,1-2H3
InChIKeySFZUKDVWADZYTI-UHFFFAOYSA-N
XLogP0.98
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-5-propoxy-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione
CID 18567458
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
5-ethoxy-1-methyl-3-prop-2-ynylpyrido[2,3-d]pyrimidine-2,4-dione
CID 18567379
2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 16801622
1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16811071
6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione
CID 168952788
2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18567398
1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16813118
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
5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424414

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 16801624) is 1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCCOc1ccnc2c1c(=O)n(CCN1CCCC1)c(=O)n2C.
What is the InChIKey of 1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SFZUKDVWADZYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-12-24-13-6-7-18-15-14(13)16(22)21(17(23)19(15)2)11-10-20-8-4-5-9-20/h6-7H,3-5,8-12H2,1-2H3.
What are the key properties of 1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 332.40 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16801624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).