N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine

C18H27N3O — CID 133461094

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(N(C)C3C4CCOC4C3(C)C)n1)CCCC2
InChIInChI=1S/C18H27N3O/c1-11-19-14-8-6-5-7-12(14)17(20-11)21(4)15-13-9-10-22-16(13)18(15,2)3/h13,15-16H,5-10H2,1-4H3
InChIKeyCYPMGEGRJWNOFF-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.91
Rot. Bonds2

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133461094) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133461094
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(N(C)C3C4CCOC4C3(C)C)n1)CCCC2
InChIInChI=1S/C18H27N3O/c1-11-19-14-8-6-5-7-12(14)17(20-11)21(4)15-13-9-10-22-16(13)18(15,2)3/h13,15-16H,5-10H2,1-4H3
InChIKeyCYPMGEGRJWNOFF-UHFFFAOYSA-N
XLogP2.91
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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Related Compounds

N,N-dimethyl-1-[(2R,5S)-5-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]oxolan-2-yl]methanamine
CID 132372094
N,2,7-trimethyl-N-[2-(tetrahydro-2H-pyran-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 50967394
N,2,7-trimethyl-N-[3-(tetrahydrofuran-2-yl)propyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 50975729
N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 55062379
2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190610
N-methyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190770
N-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191641
2-(Oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62192106
2-(Oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62312577
N-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62314537
2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62314720
N-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 64186885

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133461094) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(N(C)C3C4CCOC4C3(C)C)n1)CCCC2.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is CYPMGEGRJWNOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-11-19-14-8-6-5-7-12(14)17(20-11)21(4)15-13-9-10-22-16(13)18(15,2)3/h13,15-16H,5-10H2,1-4H3.
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 301.43 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133461094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).