N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine

C21H16N4S — CID 18382736

IUPACN-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1c[nH]c2ccc(Nc3ncnc4cc(-c5ccccc5)sc34)cc12
InChIInChI=1S/C21H16N4S/c1-13-11-22-17-8-7-15(9-16(13)17)25-21-20-18(23-12-24-21)10-19(26-20)14-5-3-2-4-6-14/h2-12,22H,1H3,(H,23,24,25)
InChIKeyRDSINGBRTMDIHM-UHFFFAOYSA-N
MW356.45 g/mol
LogP5.89
Rot. Bonds3

About N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine

N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 18382736) has the molecular formula C21H16N4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID18382736
Molecular FormulaC21H16N4S
Molecular Weight356.45 g/mol
Exact Mass356.11
IUPAC NameN-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1c[nH]c2ccc(Nc3ncnc4cc(-c5ccccc5)sc34)cc12
InChIInChI=1S/C21H16N4S/c1-13-11-22-17-8-7-15(9-16(13)17)25-21-20-18(23-12-24-21)10-19(26-20)14-5-3-2-4-6-14/h2-12,22H,1H3,(H,23,24,25)
InChIKeyRDSINGBRTMDIHM-UHFFFAOYSA-N
XLogP5.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

PI-3065
CID 24937012
Benzothieno[3,2-d]pyrimidine deriv. 51
CID 5328399
Benzothieno[3,2-d]pyrimidine deriv. 52
CID 5328400
1-(3-Methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138109
1-1H-indol-7-yl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138117
(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
Flt3-IN-17
CID 164627080
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
N-[3-(1,2,3,6-Tetrahydro-1-methyl-4-pyridinyl)-1H-indol-5-yl]-2-thiophenecarboximidamide
CID 15951194

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine (CID 18382736) is N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine is Cc1c[nH]c2ccc(Nc3ncnc4cc(-c5ccccc5)sc34)cc12.
What is the InChIKey of N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is RDSINGBRTMDIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4S/c1-13-11-22-17-8-7-15(9-16(13)17)25-21-20-18(23-12-24-21)10-19(26-20)14-5-3-2-4-6-14/h2-12,22H,1H3,(H,23,24,25).
What are the key properties of N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 356.45 g/mol, XLogP of 5.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18382736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).