(5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine

C18H28N4O — CID 42154866

IUPAC(5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC2CCC2)C1
InChIInChI=1S/C18H28N4O/c1-18(2)10-15(20-13-4-3-5-13)14-12-19-17(21-16(14)11-18)22-6-8-23-9-7-22/h12-13,15,20H,3-11H2,1-2H3/t15-/m0/s1
InChIKeyQHAXVRYJNADWKK-HNNXBMFYSA-N
MW316.45 g/mol
LogP2.47
Rot. Bonds3

About (5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine

(5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 42154866) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name(5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID42154866
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC2CCC2)C1
InChIInChI=1S/C18H28N4O/c1-18(2)10-15(20-13-4-3-5-13)14-12-19-17(21-16(14)11-18)22-6-8-23-9-7-22/h12-13,15,20H,3-11H2,1-2H3/t15-/m0/s1
InChIKeyQHAXVRYJNADWKK-HNNXBMFYSA-N
XLogP2.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of (5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine (CID 42154866) is (5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for (5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for (5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine is CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC2CCC2)C1.
What is the InChIKey of (5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is QHAXVRYJNADWKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-18(2)10-15(20-13-4-3-5-13)14-12-19-17(21-16(14)11-18)22-6-8-23-9-7-22/h12-13,15,20H,3-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine?
(5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 316.45 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 42154866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).