N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C21H21N5OS — CID 56854212

IUPACN-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CC2)sc2ncnc(NCCc3c[nH]c4ccccc34)c12
InChIInChI=1S/C21H21N5OS/c1-12-17-19(22-9-8-13-10-23-16-5-3-2-4-15(13)16)24-11-25-21(17)28-18(12)20(27)26-14-6-7-14/h2-5,10-11,14,23H,6-9H2,1H3,(H,26,27)(H,22,24,25)
InChIKeyNWNQXHWVDAAEJK-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.03
Rot. Bonds6

About N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56854212) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID56854212
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC NameN-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CC2)sc2ncnc(NCCc3c[nH]c4ccccc34)c12
InChIInChI=1S/C21H21N5OS/c1-12-17-19(22-9-8-13-10-23-16-5-3-2-4-15(13)16)24-11-25-21(17)28-18(12)20(27)26-14-6-7-14/h2-5,10-11,14,23H,6-9H2,1H3,(H,26,27)(H,22,24,25)
InChIKeyNWNQXHWVDAAEJK-UHFFFAOYSA-N
XLogP4.03
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42237008
4-[2-(1H-indol-3-yl)ethylamino]-N-(1-methoxybutan-2-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 45194217
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109247309
N-cycloheptyl-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56854446
N-cyclohexyl-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342013
N-[(4R)-2,2-dimethyloxan-4-yl]-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25291266
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109295766
N-cyclopropyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109223605
N-cyclopentyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204033
N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363292
1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea
CID 113028926
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204779

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 56854212) is N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2CC2)sc2ncnc(NCCc3c[nH]c4ccccc34)c12.
What is the InChIKey of N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NWNQXHWVDAAEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-12-17-19(22-9-8-13-10-23-16-5-3-2-4-15(13)16)24-11-25-21(17)28-18(12)20(27)26-14-6-7-14/h2-5,10-11,14,23H,6-9H2,1H3,(H,26,27)(H,22,24,25).
What are the key properties of N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56854212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).