N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide

C20H22N4OS — CID 27632112

IUPACN-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
SMILESCc1sc2nc(-c3ccccc3)nc(N(C)CC(=O)NC3CC3)c2c1C
InChIInChI=1S/C20H22N4OS/c1-12-13(2)26-20-17(12)19(24(3)11-16(25)21-15-9-10-15)22-18(23-20)14-7-5-4-6-8-14/h4-8,15H,9-11H2,1-3H3,(H,21,25)
InChIKeyZYTNWZXGHHWHNF-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.69
Rot. Bonds5

About N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide

N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide (PubChem CID 27632112) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
PubChem CID27632112
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
SMILESCc1sc2nc(-c3ccccc3)nc(N(C)CC(=O)NC3CC3)c2c1C
InChIInChI=1S/C20H22N4OS/c1-12-13(2)26-20-17(12)19(24(3)11-16(25)21-15-9-10-15)22-18(23-20)14-7-5-4-6-8-14/h4-8,15H,9-11H2,1-3H3,(H,21,25)
InChIKeyZYTNWZXGHHWHNF-UHFFFAOYSA-N
XLogP3.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide (CID 27632112) is N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide is Cc1sc2nc(-c3ccccc3)nc(N(C)CC(=O)NC3CC3)c2c1C.
What is the InChIKey of N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The InChIKey is ZYTNWZXGHHWHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-12-13(2)26-20-17(12)19(24(3)11-16(25)21-15-9-10-15)22-18(23-20)14-7-5-4-6-8-14/h4-8,15H,9-11H2,1-3H3,(H,21,25).
What are the key properties of N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide has a molecular weight of 366.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 27632112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).