1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one

C13H20N6O — CID 72856781

IUPAC1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one
SMILESNc1nc2c(c(NCCN3CCNC3=O)n1)CCCC2
InChIInChI=1S/C13H20N6O/c14-12-17-10-4-2-1-3-9(10)11(18-12)15-5-7-19-8-6-16-13(19)20/h1-8H2,(H,16,20)(H3,14,15,17,18)
InChIKeyVFECBNSHKJGJAJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.37
Rot. Bonds4

About 1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one

1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one (PubChem CID 72856781) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one
PubChem CID72856781
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one
SMILESNc1nc2c(c(NCCN3CCNC3=O)n1)CCCC2
InChIInChI=1S/C13H20N6O/c14-12-17-10-4-2-1-3-9(10)11(18-12)15-5-7-19-8-6-16-13(19)20/h1-8H2,(H,16,20)(H3,14,15,17,18)
InChIKeyVFECBNSHKJGJAJ-UHFFFAOYSA-N
XLogP0.37
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one (CID 72856781) is 1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one is Nc1nc2c(c(NCCN3CCNC3=O)n1)CCCC2.
What is the InChIKey of 1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one?
The InChIKey is VFECBNSHKJGJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c14-12-17-10-4-2-1-3-9(10)11(18-12)15-5-7-19-8-6-16-13(19)20/h1-8H2,(H,16,20)(H3,14,15,17,18).
What are the key properties of 1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one?
1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 72856781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).