1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione

C13H21N3O3 — CID 43664967

IUPAC1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCC(NCc1cc(=O)n(C)c(=O)n1C)C1CCCO1
InChIInChI=1S/C13H21N3O3/c1-9(11-5-4-6-19-11)14-8-10-7-12(17)16(3)13(18)15(10)2/h7,9,11,14H,4-6,8H2,1-3H3
InChIKeyBBXQJTFXNPPHNU-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.26
Rot. Bonds4

About 1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione (PubChem CID 43664967) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione
PubChem CID43664967
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCC(NCc1cc(=O)n(C)c(=O)n1C)C1CCCO1
InChIInChI=1S/C13H21N3O3/c1-9(11-5-4-6-19-11)14-8-10-7-12(17)16(3)13(18)15(10)2/h7,9,11,14H,4-6,8H2,1-3H3
InChIKeyBBXQJTFXNPPHNU-UHFFFAOYSA-N
XLogP-0.26
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione (CID 43664967) is 1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione is CC(NCc1cc(=O)n(C)c(=O)n1C)C1CCCO1.
What is the InChIKey of 1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is BBXQJTFXNPPHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(11-5-4-6-19-11)14-8-10-7-12(17)16(3)13(18)15(10)2/h7,9,11,14H,4-6,8H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[1-(oxolan-2-yl)ethylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 43664967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).