5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide

C19H17N5OS — CID 135382665

IUPAC5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2cc(NCCc3ccc4cc[nH]c4c3)ncn2)s1
InChIInChI=1S/C19H17N5OS/c20-19(25)17-4-3-16(26-17)15-10-18(24-11-23-15)22-7-5-12-1-2-13-6-8-21-14(13)9-12/h1-4,6,8-11,21H,5,7H2,(H2,20,25)(H,22,23,24)
InChIKeyXYWWCRFGIDUHNJ-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.44
Rot. Bonds6

About 5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide

5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 135382665) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide
PubChem CID135382665
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2cc(NCCc3ccc4cc[nH]c4c3)ncn2)s1
InChIInChI=1S/C19H17N5OS/c20-19(25)17-4-3-16(26-17)15-10-18(24-11-23-15)22-7-5-12-1-2-13-6-8-21-14(13)9-12/h1-4,6,8-11,21H,5,7H2,(H2,20,25)(H,22,23,24)
InChIKeyXYWWCRFGIDUHNJ-UHFFFAOYSA-N
XLogP3.44
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide (CID 135382665) is 5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide is NC(=O)c1ccc(-c2cc(NCCc3ccc4cc[nH]c4c3)ncn2)s1.
What is the InChIKey of 5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide?
The InChIKey is XYWWCRFGIDUHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c20-19(25)17-4-3-16(26-17)15-10-18(24-11-23-15)22-7-5-12-1-2-13-6-8-21-14(13)9-12/h1-4,6,8-11,21H,5,7H2,(H2,20,25)(H,22,23,24).
What are the key properties of 5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide?
5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 135382665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).