4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione

C9H11N3O2 — CID 83915636

IUPAC4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione
SMILESCC1C(=O)CCc2c(N)nc(=O)[nH]c21
InChIInChI=1S/C9H11N3O2/c1-4-6(13)3-2-5-7(4)11-9(14)12-8(5)10/h4H,2-3H2,1H3,(H3,10,11,12,14)
InChIKeyNKTVTCJEMBBDCP-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.03
Rot. Bonds

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

4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione (PubChem CID 83915636) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione.

Molecular Properties

Compound Name4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione
PubChem CID83915636
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione
SMILESCC1C(=O)CCc2c(N)nc(=O)[nH]c21
InChIInChI=1S/C9H11N3O2/c1-4-6(13)3-2-5-7(4)11-9(14)12-8(5)10/h4H,2-3H2,1H3,(H3,10,11,12,14)
InChIKeyNKTVTCJEMBBDCP-UHFFFAOYSA-N
XLogP-0.03
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-7,8-dihydroquinazoline-2,5(1h,6h)-dione
CID 129880351
4-Propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione
CID 83861395
4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione
CID 83916567

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione?
The IUPAC name of 4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione (CID 83915636) is 4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione.
What is the SMILES notation for 4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione?
The canonical SMILES for 4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione is CC1C(=O)CCc2c(N)nc(=O)[nH]c21.
What is the InChIKey of 4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione?
The InChIKey is NKTVTCJEMBBDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-4-6(13)3-2-5-7(4)11-9(14)12-8(5)10/h4H,2-3H2,1H3,(H3,10,11,12,14).
What are the key properties of 4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione?
4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione has a molecular weight of 193.21 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-methyl-1,5,6,8-tetrahydroquinazoline-2,7-dione is sourced from PubChem (CID 83915636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).