2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine

C16H25N3O — CID 116728350

IUPAC2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(C(OC)C3CC3)ncc21
InChIInChI=1S/C16H25N3O/c1-16(2)7-12(17-3)11-9-18-15(19-13(11)8-16)14(20-4)10-5-6-10/h9-10,12,14,17H,5-8H2,1-4H3
InChIKeyOAGGBIKNGDHTKE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.81
Rot. Bonds4

About 2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine

2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 116728350) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID116728350
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(C(OC)C3CC3)ncc21
InChIInChI=1S/C16H25N3O/c1-16(2)7-12(17-3)11-9-18-15(19-13(11)8-16)14(20-4)10-5-6-10/h9-10,12,14,17H,5-8H2,1-4H3
InChIKeyOAGGBIKNGDHTKE-UHFFFAOYSA-N
XLogP2.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62009698
2-[cyclopropyl(methoxy)methyl]-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385373
2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 102928806
2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62009697
2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62008503
N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
CID 62795182
2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 79616254
1-[2-[cyclopropyl(methoxy)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 116731055
1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731318
2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 114557225
2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384930
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728336

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 116728350) is 2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine is CNC1CC(C)(C)Cc2nc(C(OC)C3CC3)ncc21.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is OAGGBIKNGDHTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2)7-12(17-3)11-9-18-15(19-13(11)8-16)14(20-4)10-5-6-10/h9-10,12,14,17H,5-8H2,1-4H3.
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 275.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 116728350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).