1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione

C16H21N3O2 — CID 62305734

IUPAC1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione
SMILESCCC(NCc1cc(=O)n(C)c(=O)n1C)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-4-14(12-8-6-5-7-9-12)17-11-13-10-15(20)19(3)16(21)18(13)2/h5-10,14,17H,4,11H2,1-3H3
InChIKeyWGDUENXGPOZQOG-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.32
Rot. Bonds5

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

1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione (PubChem CID 62305734) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione
PubChem CID62305734
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione
SMILESCCC(NCc1cc(=O)n(C)c(=O)n1C)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-4-14(12-8-6-5-7-9-12)17-11-13-10-15(20)19(3)16(21)18(13)2/h5-10,14,17H,4,11H2,1-3H3
InChIKeyWGDUENXGPOZQOG-UHFFFAOYSA-N
XLogP1.32
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione (CID 62305734) is 1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione is CCC(NCc1cc(=O)n(C)c(=O)n1C)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is WGDUENXGPOZQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-14(12-8-6-5-7-9-12)17-11-13-10-15(20)19(3)16(21)18(13)2/h5-10,14,17H,4,11H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62305734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).