6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione

C18H29N3O4 — CID 129113175

IUPAC6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCCC1Cc2c(n(C)c(=O)n(CCCO)c2=O)N=C1OC(C)C
InChIInChI=1S/C18H29N3O4/c1-5-6-8-13-11-14-15(19-16(13)25-12(2)3)20(4)18(24)21(17(14)23)9-7-10-22/h12-13,22H,5-11H2,1-4H3
InChIKeyQOYSRARQQQUOKH-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.75
Rot. Bonds7

About 6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione

6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 129113175) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID129113175
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCCC1Cc2c(n(C)c(=O)n(CCCO)c2=O)N=C1OC(C)C
InChIInChI=1S/C18H29N3O4/c1-5-6-8-13-11-14-15(19-16(13)25-12(2)3)20(4)18(24)21(17(14)23)9-7-10-22/h12-13,22H,5-11H2,1-4H3
InChIKeyQOYSRARQQQUOKH-UHFFFAOYSA-N
XLogP1.75
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione (CID 129113175) is 6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione is CCCCC1Cc2c(n(C)c(=O)n(CCCO)c2=O)N=C1OC(C)C.
What is the InChIKey of 6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QOYSRARQQQUOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-5-6-8-13-11-14-15(19-16(13)25-12(2)3)20(4)18(24)21(17(14)23)9-7-10-22/h12-13,22H,5-11H2,1-4H3.
What are the key properties of 6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 351.45 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-(3-hydroxypropyl)-1-methyl-7-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129113175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).