2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid

C13H14N4O2 — CID 157422895

IUPAC2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid
SMILESCC1(C)Cc2cnc(N)nc2C2=C1C(C(=O)O)=NC2
InChIInChI=1S/C13H14N4O2/c1-13(2)3-6-4-16-12(14)17-9(6)7-5-15-10(8(7)13)11(18)19/h4H,3,5H2,1-2H3,(H,18,19)(H2,14,16,17)
InChIKeyXPNHBXHLPHPCOZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.93
Rot. Bonds1

About 2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid

2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid (PubChem CID 157422895) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid
PubChem CID157422895
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid
SMILESCC1(C)Cc2cnc(N)nc2C2=C1C(C(=O)O)=NC2
InChIInChI=1S/C13H14N4O2/c1-13(2)3-6-4-16-12(14)17-9(6)7-5-15-10(8(7)13)11(18)19/h4H,3,5H2,1-2H3,(H,18,19)(H2,14,16,17)
InChIKeyXPNHBXHLPHPCOZ-UHFFFAOYSA-N
XLogP0.93
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-1-propan-2-yl-5H-pyrazolo[4,5-h]quinazolin-8-amine
CID 142345753
8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
CID 167439294
1-[8-amino-2-(2-hydroxyethyl)-4,4-dimethyl-5H-pyrazolo[4,3-h]quinazolin-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 159620581
2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid
CID 163287315
2-amino-4-fluoropyrimidine-5-carboxylic acid
CID 90011731
8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
CID 137415286
2-amino-4-(4-chlorophenyl)pyrimidine-5-carboxylic acid
CID 75488589
8-amino-N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;dihydrochloride
CID 153487749
2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid
CID 82213921
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 110244224
(2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 95851895

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid?
The IUPAC name of 2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid (CID 157422895) is 2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid.
What is the SMILES notation for 2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid?
The canonical SMILES for 2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid is CC1(C)Cc2cnc(N)nc2C2=C1C(C(=O)O)=NC2.
What is the InChIKey of 2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid?
The InChIKey is XPNHBXHLPHPCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-13(2)3-6-4-16-12(14)17-9(6)7-5-15-10(8(7)13)11(18)19/h4H,3,5H2,1-2H3,(H,18,19)(H2,14,16,17).
What are the key properties of 2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid?
2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,6-dimethyl-5,9-dihydropyrrolo[3,4-h]quinazoline-7-carboxylic acid is sourced from PubChem (CID 157422895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).