3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione

C10H15N3O2 — CID 146614384

IUPAC3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)[nH]c2c(c1=O)CNCC2
InChIInChI=1S/C10H15N3O2/c1-6(2)13-9(14)7-5-11-4-3-8(7)12-10(13)15/h6,11H,3-5H2,1-2H3,(H,12,15)
InChIKeyOOBZHTDMWDSMHS-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.24
Rot. Bonds1

About 3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione

3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 146614384) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID146614384
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)[nH]c2c(c1=O)CNCC2
InChIInChI=1S/C10H15N3O2/c1-6(2)13-9(14)7-5-11-4-3-8(7)12-10(13)15/h6,11H,3-5H2,1-2H3,(H,12,15)
InChIKeyOOBZHTDMWDSMHS-UHFFFAOYSA-N
XLogP-0.24
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione (CID 146614384) is 3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione is CC(C)n1c(=O)[nH]c2c(c1=O)CNCC2.
What is the InChIKey of 3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is OOBZHTDMWDSMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)13-9(14)7-5-11-4-3-8(7)12-10(13)15/h6,11H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 209.25 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 146614384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).