1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione

C11H16N2O2 — CID 91114198

IUPAC1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESCCCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C11H16N2O2/c1-2-7-13-9-6-4-3-5-8(9)10(14)12-11(13)15/h2-7H2,1H3,(H,12,14,15)
InChIKeyIGFQKKQLUWDTPH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.83
Rot. Bonds2

About 1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione

1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione (PubChem CID 91114198) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione
PubChem CID91114198
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESCCCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C11H16N2O2/c1-2-7-13-9-6-4-3-5-8(9)10(14)12-11(13)15/h2-7H2,1H3,(H,12,14,15)
InChIKeyIGFQKKQLUWDTPH-UHFFFAOYSA-N
XLogP0.83
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-Tetrahydroquinazoline-2,4(1H,3H)-dione
CID 471872
Spiro(cyclohexane-1,2'(1'H)-quinazolin)-4'(3'H)-one, 5',6',7',8'-tetrahydro-
CID 207519
3-hexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 1915099
3-pentyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 2055081
Uracil, 5-butyl-3,6-dimethyl-
CID 3021746
Uracil, 5-butyl-3-ethyl-6-methyl-
CID 3021772
5-Butyl-6-ethyl-3-methyluracil
CID 3021773
Uracil, 5-butyl-3-methyl-6-propyl-
CID 3021849
Uracil, 3,5-dibutyl-6-methyl-
CID 3021920
3-Butyl-6-methyl-5-(3-methylbutyl)-2,4(1H,3H)-pyrimidinedione
CID 3021982
Uracil, 3-allyl-5-butyl-6-methyl-
CID 3025436
3-Butyl-2-hydroxy-6-methyl-5-pentylpyrimidin-4(3H)-one
CID 16205726

Frequently Asked Questions

What is the IUPAC name of 1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione (CID 91114198) is 1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione is CCCn1c2c(c(=O)[nH]c1=O)CCCC2.
What is the InChIKey of 1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The InChIKey is IGFQKKQLUWDTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-7-13-9-6-4-3-5-8(9)10(14)12-11(13)15/h2-7H2,1H3,(H,12,14,15).
What are the key properties of 1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione?
1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 91114198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).