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

C19H29N3O4 — CID 118875536

IUPAC3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCc1c(OC(C)C)cnc2c1c(=O)n(CCCO)c(=O)n2C
InChIInChI=1S/C19H29N3O4/c1-12(2)7-8-14-15(26-13(3)4)11-20-17-16(14)18(24)22(9-6-10-23)19(25)21(17)5/h11-13,23H,6-10H2,1-5H3
InChIKeyYVPMRSOFZBKSJY-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.85
Rot. Bonds8

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

3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 118875536) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID118875536
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCc1c(OC(C)C)cnc2c1c(=O)n(CCCO)c(=O)n2C
InChIInChI=1S/C19H29N3O4/c1-12(2)7-8-14-15(26-13(3)4)11-20-17-16(14)18(24)22(9-6-10-23)19(25)21(17)5/h11-13,23H,6-10H2,1-5H3
InChIKeyYVPMRSOFZBKSJY-UHFFFAOYSA-N
XLogP1.85
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione (CID 118875536) is 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione is CC(C)CCc1c(OC(C)C)cnc2c1c(=O)n(CCCO)c(=O)n2C.
What is the InChIKey of 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YVPMRSOFZBKSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-12(2)7-8-14-15(26-13(3)4)11-20-17-16(14)18(24)22(9-6-10-23)19(25)21(17)5/h11-13,23H,6-10H2,1-5H3.
What are the key properties of 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione?
3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 363.46 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 118875536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).