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

C14H23N3O — CID 116728926

IUPAC2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCOC(C)(C)c1nc2c(c(NC)n1)CCCC2
InChIInChI=1S/C14H23N3O/c1-5-18-14(2,3)13-16-11-9-7-6-8-10(11)12(15-4)17-13/h5-9H2,1-4H3,(H,15,16,17)
InChIKeyWQTJMHBRDHDMKS-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.67
Rot. Bonds4

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

2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 116728926) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID116728926
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCOC(C)(C)c1nc2c(c(NC)n1)CCCC2
InChIInChI=1S/C14H23N3O/c1-5-18-14(2,3)13-16-11-9-7-6-8-10(11)12(15-4)17-13/h5-9H2,1-4H3,(H,15,16,17)
InChIKeyWQTJMHBRDHDMKS-UHFFFAOYSA-N
XLogP2.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine
CID 116730217
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 116729311
5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729389
5-bromo-2-(2-ethoxypropan-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729553
N-methyl-2-(propoxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351302
2-(2-ethoxypropan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737893
N-methyl-2-pyrimidin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351423
N-methyl-2-pentan-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62313616
2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775726
2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62391586
2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 102928850

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 116728926) is 2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCOC(C)(C)c1nc2c(c(NC)n1)CCCC2.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is WQTJMHBRDHDMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-18-14(2,3)13-16-11-9-7-6-8-10(11)12(15-4)17-13/h5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 116728926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).