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

C12H21N3O2 — CID 43131235

IUPAC1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione
SMILESCC(C)C(C)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N3O2/c1-8(2)9(3)13-6-10-7-14(4)12(17)15(5)11(10)16/h7-9,13H,6H2,1-5H3
InChIKeyHZAFKYKHZLLAEU-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.22
Rot. Bonds4

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

1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione (PubChem CID 43131235) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione
PubChem CID43131235
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione
SMILESCC(C)C(C)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N3O2/c1-8(2)9(3)13-6-10-7-14(4)12(17)15(5)11(10)16/h7-9,13H,6H2,1-5H3
InChIKeyHZAFKYKHZLLAEU-UHFFFAOYSA-N
XLogP0.22
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.22
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-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione (CID 43131235) is 1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione is CC(C)C(C)NCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is HZAFKYKHZLLAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)9(3)13-6-10-7-14(4)12(17)15(5)11(10)16/h7-9,13H,6H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(3-methylbutan-2-ylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 43131235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).