3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione

C12H13N3O2 — CID 122239190

IUPAC3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C12H13N3O2/c1-8(2)15-11(16)7-10(14-12(15)17)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,14,17)
InChIKeyVFJZUUMODFJFRF-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.18
Rot. Bonds2

About 3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione

3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione (PubChem CID 122239190) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione
PubChem CID122239190
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C12H13N3O2/c1-8(2)15-11(16)7-10(14-12(15)17)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,14,17)
InChIKeyVFJZUUMODFJFRF-UHFFFAOYSA-N
XLogP1.18
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione (CID 122239190) is 3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)cc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of 3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione?
The InChIKey is VFJZUUMODFJFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(2)15-11(16)7-10(14-12(15)17)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,14,17).
What are the key properties of 3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione?
3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione has a molecular weight of 231.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).