N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C16H25N3O — CID 133462048

IUPACN-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NC3CCOC(C)(C)C3)n1)CCCC2
InChIInChI=1S/C16H25N3O/c1-11-17-14-7-5-4-6-13(14)15(18-11)19-12-8-9-20-16(2,3)10-12/h12H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyHRWUMAFETZSKMK-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.03
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133462048) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133462048
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NC3CCOC(C)(C)C3)n1)CCCC2
InChIInChI=1S/C16H25N3O/c1-11-17-14-7-5-4-6-13(14)15(18-11)19-12-8-9-20-16(2,3)10-12/h12H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyHRWUMAFETZSKMK-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133462048) is N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NC3CCOC(C)(C)C3)n1)CCCC2.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is HRWUMAFETZSKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-17-14-7-5-4-6-13(14)15(18-11)19-12-8-9-20-16(2,3)10-12/h12H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133462048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).