7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione

C12H17N3O2 — CID 135740399

IUPAC7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
SMILESCc1nc2n(c(=O)c1CCC(C)C)CC(=O)N2
InChIInChI=1S/C12H17N3O2/c1-7(2)4-5-9-8(3)13-12-14-10(16)6-15(12)11(9)17/h7H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyGZRFTIBKEKJNRR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.09
Rot. Bonds3

About 7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione

7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione (PubChem CID 135740399) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione.

Molecular Properties

Compound Name7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
PubChem CID135740399
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
SMILESCc1nc2n(c(=O)c1CCC(C)C)CC(=O)N2
InChIInChI=1S/C12H17N3O2/c1-7(2)4-5-9-8(3)13-12-14-10(16)6-15(12)11(9)17/h7H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyGZRFTIBKEKJNRR-UHFFFAOYSA-N
XLogP1.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-6-methyl-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-ol
CID 135418935
6-Methyl-5-(3-methylbutyl)-2-(pyrrolidin-1-YL)pyrimidin-4-OL
CID 135473131
2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one
CID 135507764
1,8,10-Triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 135525211
6,7-Di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
CID 153434352
6,7-Di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione
CID 153434357
6,7-Di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione;ethane
CID 160794602
3-Methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
CID 166788803
N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide
CID 167249589
2-[(3S)-3-aminopyrrolidin-1-yl]-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 97620010
2-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 97620011
2-(3-Aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
CID 102549320

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione?
The IUPAC name of 7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione (CID 135740399) is 7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione.
What is the SMILES notation for 7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione?
The canonical SMILES for 7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione is Cc1nc2n(c(=O)c1CCC(C)C)CC(=O)N2.
What is the InChIKey of 7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione?
The InChIKey is GZRFTIBKEKJNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7(2)4-5-9-8(3)13-12-14-10(16)6-15(12)11(9)17/h7H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of 7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione?
7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione has a molecular weight of 235.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione is sourced from PubChem (CID 135740399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).