N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C17H22N4OS — CID 39082034

IUPACN,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESC=CCN(CC=C)C(=O)CNc1nc(C)nc2sc(C)c(C)c12
InChIInChI=1S/C17H22N4OS/c1-6-8-21(9-7-2)14(22)10-18-16-15-11(3)12(4)23-17(15)20-13(5)19-16/h6-7H,1-2,8-10H2,3-5H3,(H,18,19,20)
InChIKeyDBSOTFGAKKVENN-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.23
Rot. Bonds7

About N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 39082034) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID39082034
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESC=CCN(CC=C)C(=O)CNc1nc(C)nc2sc(C)c(C)c12
InChIInChI=1S/C17H22N4OS/c1-6-8-21(9-7-2)14(22)10-18-16-15-11(3)12(4)23-17(15)20-13(5)19-16/h6-7H,1-2,8-10H2,3-5H3,(H,18,19,20)
InChIKeyDBSOTFGAKKVENN-UHFFFAOYSA-N
XLogP3.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39082060
N-(2,6-dimethylphenyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195720
N-(3-methylbutyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085132
4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid
CID 28844051
N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9402936
(2S)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 7456431
N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 39998462
N,N-dimethyl-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]acetamide
CID 9339663
(2R)-3-methyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 7456433
ethyl 4-[[2-(tert-butylamino)-2-oxoethyl]amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 17393383
2-benzyl-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 91964684
N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 9184743

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 39082034) is N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is C=CCN(CC=C)C(=O)CNc1nc(C)nc2sc(C)c(C)c12.
What is the InChIKey of N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is DBSOTFGAKKVENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-6-8-21(9-7-2)14(22)10-18-16-15-11(3)12(4)23-17(15)20-13(5)19-16/h6-7H,1-2,8-10H2,3-5H3,(H,18,19,20).
What are the key properties of N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 330.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 39082034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).