(2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine

C16H16N4S — CID 81424689

IUPAC(2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
SMILESNCC1CCc2nc(-c3cnc4ccsc4c3)ncc2C1
InChIInChI=1S/C16H16N4S/c17-7-10-1-2-13-11(5-10)8-19-16(20-13)12-6-15-14(18-9-12)3-4-21-15/h3-4,6,8-10H,1-2,5,7,17H2
InChIKeyJSMSMOMKIRNDOD-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.82
Rot. Bonds2

About (2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine

(2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine (PubChem CID 81424689) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is (2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine.

Molecular Properties

Compound Name(2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
PubChem CID81424689
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name(2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
SMILESNCC1CCc2nc(-c3cnc4ccsc4c3)ncc2C1
InChIInChI=1S/C16H16N4S/c17-7-10-1-2-13-11(5-10)8-19-16(20-13)12-6-15-14(18-9-12)3-4-21-15/h3-4,6,8-10H,1-2,5,7,17H2
InChIKeyJSMSMOMKIRNDOD-UHFFFAOYSA-N
XLogP2.82
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
2-Ethyl-4-pyridin-2-ylthieno[3,2-d]pyrimidine
CID 9964781
12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
5,6-Diphenyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11234357
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2509600
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
CID 24971388
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
N-(4-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883180
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-phenylthieno[3,2-d]pyrimidin-2-amine
CID 164609501
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 164616904

Frequently Asked Questions

What is the IUPAC name of (2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The IUPAC name of (2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine (CID 81424689) is (2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine.
What is the SMILES notation for (2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The canonical SMILES for (2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine is NCC1CCc2nc(-c3cnc4ccsc4c3)ncc2C1.
What is the InChIKey of (2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The InChIKey is JSMSMOMKIRNDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c17-7-10-1-2-13-11(5-10)8-19-16(20-13)12-6-15-14(18-9-12)3-4-21-15/h3-4,6,8-10H,1-2,5,7,17H2.
What are the key properties of (2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
(2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine has a molecular weight of 296.40 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine is sourced from PubChem (CID 81424689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).