1,3-dimethyl-6-propylpyrimidine-2,4-dione

C9H14N2O2 — CID 15277330

IUPAC1,3-dimethyl-6-propylpyrimidine-2,4-dione
SMILESCCCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H14N2O2/c1-4-5-7-6-8(12)11(3)9(13)10(7)2/h6H,4-5H2,1-3H3
InChIKeyNDBRFYUCFUJQKP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.04
Rot. Bonds2

About 1,3-dimethyl-6-propylpyrimidine-2,4-dione

1,3-dimethyl-6-propylpyrimidine-2,4-dione (PubChem CID 15277330) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1,3-dimethyl-6-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-propylpyrimidine-2,4-dione
PubChem CID15277330
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1,3-dimethyl-6-propylpyrimidine-2,4-dione
SMILESCCCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H14N2O2/c1-4-5-7-6-8(12)11(3)9(13)10(7)2/h6H,4-5H2,1-3H3
InChIKeyNDBRFYUCFUJQKP-UHFFFAOYSA-N
XLogP0.04
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-propylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-propylpyrimidine-2,4-dione (CID 15277330) is 1,3-dimethyl-6-propylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-propylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-propylpyrimidine-2,4-dione is CCCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-propylpyrimidine-2,4-dione?
The InChIKey is NDBRFYUCFUJQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-7-6-8(12)11(3)9(13)10(7)2/h6H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-propylpyrimidine-2,4-dione?
1,3-dimethyl-6-propylpyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-propylpyrimidine-2,4-dione is sourced from PubChem (CID 15277330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).