5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C16H20N4O4 — CID 110087813

IUPAC5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1cc(C(=O)N2CCC(O)C2)c2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C16H20N4O4/c1-8(2)11-6-10(15(23)20-5-4-9(21)7-20)12-13(17-11)19(3)16(24)18-14(12)22/h6,8-9,21H,4-5,7H2,1-3H3,(H,18,22,24)
InChIKeyNRBMJDVJICRZNI-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.05
Rot. Bonds2

About 5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 110087813) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID110087813
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1cc(C(=O)N2CCC(O)C2)c2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C16H20N4O4/c1-8(2)11-6-10(15(23)20-5-4-9(21)7-20)12-13(17-11)19(3)16(24)18-14(12)22/h6,8-9,21H,4-5,7H2,1-3H3,(H,18,22,24)
InChIKeyNRBMJDVJICRZNI-UHFFFAOYSA-N
XLogP-0.05
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 110087813) is 5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1cc(C(=O)N2CCC(O)C2)c2c(=O)[nH]c(=O)n(C)c2n1.
What is the InChIKey of 5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NRBMJDVJICRZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-8(2)11-6-10(15(23)20-5-4-9(21)7-20)12-13(17-11)19(3)16(24)18-14(12)22/h6,8-9,21H,4-5,7H2,1-3H3,(H,18,22,24).
What are the key properties of 5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 110087813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).