4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C13H14ClN3S — CID 94674649

IUPAC4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESClc1nc(NCc2cccs2)nc2c1CCCC2
InChIInChI=1S/C13H14ClN3S/c14-12-10-5-1-2-6-11(10)16-13(17-12)15-8-9-4-3-7-18-9/h3-4,7H,1-2,5-6,8H2,(H,15,16,17)
InChIKeyNYAULIDZGVWXSC-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.68
Rot. Bonds3

About 4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 94674649) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID94674649
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESClc1nc(NCc2cccs2)nc2c1CCCC2
InChIInChI=1S/C13H14ClN3S/c14-12-10-5-1-2-6-11(10)16-13(17-12)15-8-9-4-3-7-18-9/h3-4,7H,1-2,5-6,8H2,(H,15,16,17)
InChIKeyNYAULIDZGVWXSC-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 82461111
2-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 23610717
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol
CID 82461101
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 20867703
[2-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63351692
5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643760
4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 82461125
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 94674630
4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 82461164
4-chloro-2-[(S)-(4-methylphenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinazoline
CID 40560238
1-[4-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]indazole-4-carboxamide
CID 118239636

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 94674649) is 4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is Clc1nc(NCc2cccs2)nc2c1CCCC2.
What is the InChIKey of 4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is NYAULIDZGVWXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c14-12-10-5-1-2-6-11(10)16-13(17-12)15-8-9-4-3-7-18-9/h3-4,7H,1-2,5-6,8H2,(H,15,16,17).
What are the key properties of 4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 279.80 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 94674649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).