6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione

C16H19N3O2 — CID 118658560

IUPAC6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione
SMILESNc1ccc2c(c1)c(=O)n(CC1CC1)c(=O)n2CC1CC1
InChIInChI=1S/C16H19N3O2/c17-12-5-6-14-13(7-12)15(20)19(9-11-3-4-11)16(21)18(14)8-10-1-2-10/h5-7,10-11H,1-4,8-9,17H2
InChIKeyYPKQDNKPLWVPGM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.57
Rot. Bonds4

About 6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione

6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione (PubChem CID 118658560) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione
PubChem CID118658560
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione
SMILESNc1ccc2c(c1)c(=O)n(CC1CC1)c(=O)n2CC1CC1
InChIInChI=1S/C16H19N3O2/c17-12-5-6-14-13(7-12)15(20)19(9-11-3-4-11)16(21)18(14)8-10-1-2-10/h5-7,10-11H,1-4,8-9,17H2
InChIKeyYPKQDNKPLWVPGM-UHFFFAOYSA-N
XLogP1.57
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione?
The IUPAC name of 6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione (CID 118658560) is 6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione.
What is the SMILES notation for 6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione?
The canonical SMILES for 6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione is Nc1ccc2c(c1)c(=O)n(CC1CC1)c(=O)n2CC1CC1.
What is the InChIKey of 6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione?
The InChIKey is YPKQDNKPLWVPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-12-5-6-14-13(7-12)15(20)19(9-11-3-4-11)16(21)18(14)8-10-1-2-10/h5-7,10-11H,1-4,8-9,17H2.
What are the key properties of 6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione?
6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione has a molecular weight of 285.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-bis(cyclopropylmethyl)quinazoline-2,4-dione is sourced from PubChem (CID 118658560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).