molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide

C20H22N6OS — CID 142540200

IUPACmolecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC(Nc1nc(C(=O)NCc2ccccn2)c2sccc2n1)c1ccccn1.[H][H].[H][H]
InChIInChI=1S/C20H18N6OS.2H2/c1-13(15-7-3-5-10-22-15)24-20-25-16-8-11-28-18(16)17(26-20)19(27)23-12-14-6-2-4-9-21-14;;/h2-11,13H,12H2,1H3,(H,23,27)(H,24,25,26);2*1H
InChIKeyOIIAWZYKRWKOQU-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.08
Rot. Bonds6

About molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide

molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 142540200) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Namemolecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID142540200
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Namemolecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC(Nc1nc(C(=O)NCc2ccccn2)c2sccc2n1)c1ccccn1.[H][H].[H][H]
InChIInChI=1S/C20H18N6OS.2H2/c1-13(15-7-3-5-10-22-15)24-20-25-16-8-11-28-18(16)17(26-20)19(27)23-12-14-6-2-4-9-21-14;;/h2-11,13H,12H2,1H3,(H,23,27)(H,24,25,26);2*1H
InChIKeyOIIAWZYKRWKOQU-UHFFFAOYSA-N
XLogP4.08
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide with MolForge

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Related Compounds

N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane
CID 142540394
2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide
CID 163408066
ethane;1-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 142540161
7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540362
4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
CID 46651958
6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 162779417
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230103
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one
CID 163648492
4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109201520
ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540083

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide (CID 142540200) is molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide is CC(Nc1nc(C(=O)NCc2ccccn2)c2sccc2n1)c1ccccn1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is OIIAWZYKRWKOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS.2H2/c1-13(15-7-3-5-10-22-15)24-20-25-16-8-11-28-18(16)17(26-20)19(27)23-12-14-6-2-4-9-21-14;;/h2-11,13H,12H2,1H3,(H,23,27)(H,24,25,26);2*1H.
What are the key properties of molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide?
molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 142540200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).