N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine

C14H10N4S — CID 18382956

IUPACN-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc3[nH]ccc3c2)c2sccc2n1
InChIInChI=1S/C14H10N4S/c1-2-11-9(3-5-15-11)7-10(1)18-14-13-12(4-6-19-13)16-8-17-14/h1-8,15H,(H,16,17,18)
InChIKeyNBQRNBQWWDPYMC-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.92
Rot. Bonds2

About N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine

N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 18382956) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID18382956
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC NameN-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc3[nH]ccc3c2)c2sccc2n1
InChIInChI=1S/C14H10N4S/c1-2-11-9(3-5-15-11)7-10(1)18-14-13-12(4-6-19-13)16-8-17-14/h1-8,15H,(H,16,17,18)
InChIKeyNBQRNBQWWDPYMC-UHFFFAOYSA-N
XLogP3.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-{5-[2-(Thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
CID 24880024
Benzothieno[3,2-d]pyrimidine deriv. 51
CID 5328399
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
1-(3-Methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138109
1-(3-Ethynylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138111
1-1H-indol-7-yl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138117
1-{3-[2-(Azetidin-1-yl)ethyl]phenyl}-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138120
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
(1H-Indol-5-yl)-(2-thiophen-2-yl-thieno[3,2-b]pyridin-7-yl)-amine
CID 9884654
(1H-Indol-5-yl)-(6-thiophen-2-yl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382853
{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidin-6-yl]-phenyl}-methanol
CID 18382910
n4-(1h-Indol-5-yl)quinazoline-4,6-diamine
CID 23366728

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine (CID 18382956) is N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine is c1nc(Nc2ccc3[nH]ccc3c2)c2sccc2n1.
What is the InChIKey of N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is NBQRNBQWWDPYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-2-11-9(3-5-15-11)7-10(1)18-14-13-12(4-6-19-13)16-8-17-14/h1-8,15H,(H,16,17,18).
What are the key properties of N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 266.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18382956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).