4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

C15H23N5O — CID 72846995

IUPAC4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1nc2c(c(N3CC(N4CCOCC4)C3)n1)CCCC2
InChIInChI=1S/C15H23N5O/c16-15-17-13-4-2-1-3-12(13)14(18-15)20-9-11(10-20)19-5-7-21-8-6-19/h11H,1-10H2,(H2,16,17,18)
InChIKeyWUFZDAIVUYGVOL-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.46
Rot. Bonds2

About 4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 72846995) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID72846995
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1nc2c(c(N3CC(N4CCOCC4)C3)n1)CCCC2
InChIInChI=1S/C15H23N5O/c16-15-17-13-4-2-1-3-12(13)14(18-15)20-9-11(10-20)19-5-7-21-8-6-19/h11H,1-10H2,(H2,16,17,18)
InChIKeyWUFZDAIVUYGVOL-UHFFFAOYSA-N
XLogP0.46
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 72846995) is 4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine is Nc1nc2c(c(N3CC(N4CCOCC4)C3)n1)CCCC2.
What is the InChIKey of 4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is WUFZDAIVUYGVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c16-15-17-13-4-2-1-3-12(13)14(18-15)20-9-11(10-20)19-5-7-21-8-6-19/h11H,1-10H2,(H2,16,17,18).
What are the key properties of 4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 289.38 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 72846995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).