[1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid

C14H21N5O2 — CID 68563049

IUPAC[1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid
SMILESCC1(C)CCCc2c(N3CC(NC(=O)O)C3)nc(N)nc21
InChIInChI=1S/C14H21N5O2/c1-14(2)5-3-4-9-10(14)17-12(15)18-11(9)19-6-8(7-19)16-13(20)21/h8,16H,3-7H2,1-2H3,(H,20,21)(H2,15,17,18)
InChIKeySZUPCCHIIXJYMD-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.13
Rot. Bonds2

About [1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid

[1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid (PubChem CID 68563049) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is [1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid
PubChem CID68563049
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name[1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid
SMILESCC1(C)CCCc2c(N3CC(NC(=O)O)C3)nc(N)nc21
InChIInChI=1S/C14H21N5O2/c1-14(2)5-3-4-9-10(14)17-12(15)18-11(9)19-6-8(7-19)16-13(20)21/h8,16H,3-7H2,1-2H3,(H,20,21)(H2,15,17,18)
InChIKeySZUPCCHIIXJYMD-UHFFFAOYSA-N
XLogP1.13
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid?
The IUPAC name of [1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid (CID 68563049) is [1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid?
The canonical SMILES for [1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid is CC1(C)CCCc2c(N3CC(NC(=O)O)C3)nc(N)nc21.
What is the InChIKey of [1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid?
The InChIKey is SZUPCCHIIXJYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-14(2)5-3-4-9-10(14)17-12(15)18-11(9)19-6-8(7-19)16-13(20)21/h8,16H,3-7H2,1-2H3,(H,20,21)(H2,15,17,18).
What are the key properties of [1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid?
[1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid has a molecular weight of 291.36 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-8,8-dimethyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]carbamic acid is sourced from PubChem (CID 68563049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).