1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione

C12H21N3O2 — CID 43200875

IUPAC1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione
SMILESCCCC(C)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N3O2/c1-5-6-9(2)13-7-10-8-14(3)12(17)15(4)11(10)16/h8-9,13H,5-7H2,1-4H3
InChIKeyWMCORKYWSHTSIF-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.36
Rot. Bonds5

About 1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione (PubChem CID 43200875) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione
PubChem CID43200875
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione
SMILESCCCC(C)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N3O2/c1-5-6-9(2)13-7-10-8-14(3)12(17)15(4)11(10)16/h8-9,13H,5-7H2,1-4H3
InChIKeyWMCORKYWSHTSIF-UHFFFAOYSA-N
XLogP0.36
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione (CID 43200875) is 1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione is CCCC(C)NCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is WMCORKYWSHTSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-6-9(2)13-7-10-8-14(3)12(17)15(4)11(10)16/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(pentan-2-ylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 43200875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).