4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C23H20N6S — CID 59130299

IUPAC4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESc1ccc2c(c1)CCCC2Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
InChIInChI=1S/C23H20N6S/c1-2-6-17-14(4-1)5-3-7-19(17)26-23-27-20-10-11-30-21(20)22(28-23)25-16-8-9-18-15(12-16)13-24-29-18/h1-2,4,6,8-13,19H,3,5,7H2,(H,24,29)(H2,25,26,27,28)
InChIKeyUZMHVOPBVHRESE-UHFFFAOYSA-N
MW412.52 g/mol
LogP5.80
Rot. Bonds4

About 4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine

4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 59130299) has the molecular formula C23H20N6S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID59130299
Molecular FormulaC23H20N6S
Molecular Weight412.52 g/mol
Exact Mass412.15
IUPAC Name4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESc1ccc2c(c1)CCCC2Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
InChIInChI=1S/C23H20N6S/c1-2-6-17-14(4-1)5-3-7-19(17)26-23-27-20-10-11-30-21(20)22(28-23)25-16-8-9-18-15(12-16)13-24-29-18/h1-2,4,6,8-13,19H,3,5,7H2,(H,24,29)(H2,25,26,27,28)
InChIKeyUZMHVOPBVHRESE-UHFFFAOYSA-N
XLogP5.80
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 59130299) is 4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine is c1ccc2c(c1)CCCC2Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.
What is the InChIKey of 4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is UZMHVOPBVHRESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6S/c1-2-6-17-14(4-1)5-3-7-19(17)26-23-27-20-10-11-30-21(20)22(28-23)25-16-8-9-18-15(12-16)13-24-29-18/h1-2,4,6,8-13,19H,3,5,7H2,(H,24,29)(H2,25,26,27,28).
What are the key properties of 4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 412.52 g/mol, XLogP of 5.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 59130299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).