6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one

C13H16N4O — CID 136808661

IUPAC6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one
SMILESCCN(c1nc2ccc(N)cc2c(=O)[nH]1)C1CC1
InChIInChI=1S/C13H16N4O/c1-2-17(9-4-5-9)13-15-11-6-3-8(14)7-10(11)12(18)16-13/h3,6-7,9H,2,4-5,14H2,1H3,(H,15,16,18)
InChIKeyMISVGRVOCYNRAW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.49
Rot. Bonds3

About 6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one

6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one (PubChem CID 136808661) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one
PubChem CID136808661
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one
SMILESCCN(c1nc2ccc(N)cc2c(=O)[nH]1)C1CC1
InChIInChI=1S/C13H16N4O/c1-2-17(9-4-5-9)13-15-11-6-3-8(14)7-10(11)12(18)16-13/h3,6-7,9H,2,4-5,14H2,1H3,(H,15,16,18)
InChIKeyMISVGRVOCYNRAW-UHFFFAOYSA-N
XLogP1.49
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one (CID 136808661) is 6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one is CCN(c1nc2ccc(N)cc2c(=O)[nH]1)C1CC1.
What is the InChIKey of 6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one?
The InChIKey is MISVGRVOCYNRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-17(9-4-5-9)13-15-11-6-3-8(14)7-10(11)12(18)16-13/h3,6-7,9H,2,4-5,14H2,1H3,(H,15,16,18).
What are the key properties of 6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one?
6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one has a molecular weight of 244.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136808661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).