N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine

C13H21N3 — CID 62009095

IUPACN-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(C(C)C)ncc21
InChIInChI=1S/C13H21N3/c1-4-14-11-6-5-7-12-10(11)8-15-13(16-12)9(2)3/h8-9,11,14H,4-7H2,1-3H3
InChIKeyCKQWWDMKUPMZTP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds3

About N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine

N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62009095) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62009095
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(C(C)C)ncc21
InChIInChI=1S/C13H21N3/c1-4-14-11-6-5-7-12-10(11)8-15-13(16-12)9(2)3/h8-9,11,14H,4-7H2,1-3H3
InChIKeyCKQWWDMKUPMZTP-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quinelorane
CID 57242
4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene
CID 44304974
Pyrido(2,3-g)quinazolin-2-amine, 5,5a,6,7,8,9,9a,10-octahydro-6-propyl-, (5aS-trans)-
CID 18596256
5,6,7,8-Tetrahydroquinazolin-2-amine
CID 224783
Quinelorane Hydrochloride
CID 68728
4-(3,3-Dimethylbutyl)-5-methylpyrimidin-2-amine
CID 122516777
6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
CID 9992142
5,6,7,8-Tetrahydroquinazoline
CID 637537
5H,6H,7H,8H-pyrido(4,3-d)pyrimidine
CID 10932674
2-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 53471483
2-Methyl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 16228810
2,6-Dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 12450593

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62009095) is N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine is CCNC1CCCc2nc(C(C)C)ncc21.
What is the InChIKey of N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is CKQWWDMKUPMZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-14-11-6-5-7-12-10(11)8-15-13(16-12)9(2)3/h8-9,11,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 219.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62009095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).