2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C18H22N4S2 — CID 133278781

IUPAC2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCSCCNc1nc(CN(C)C)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C18H22N4S2/c1-22(2)11-15-20-17(19-9-10-23-3)16-14(12-24-18(16)21-15)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,19,20,21)
InChIKeyUABXFQOIYYFMGP-UHFFFAOYSA-N
MW358.54 g/mol
LogP4.19
Rot. Bonds7

About 2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133278781) has the molecular formula C18H22N4S2 and a molecular weight of 358.54 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133278781
Molecular FormulaC18H22N4S2
Molecular Weight358.54 g/mol
Exact Mass358.13
IUPAC Name2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCSCCNc1nc(CN(C)C)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C18H22N4S2/c1-22(2)11-15-20-17(19-9-10-23-3)16-14(12-24-18(16)21-15)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,19,20,21)
InChIKeyUABXFQOIYYFMGP-UHFFFAOYSA-N
XLogP4.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 133278690
2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279089
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 133278807
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 122058325
N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133362238
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
2-[(dimethylamino)methyl]-N-(oxolan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278676
2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278788
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122062590
N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 133279040
2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278823
5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
CID 133380672

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133278781) is 2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is CSCCNc1nc(CN(C)C)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UABXFQOIYYFMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S2/c1-22(2)11-15-20-17(19-9-10-23-3)16-14(12-24-18(16)21-15)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,19,20,21).
What are the key properties of 2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 358.54 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133278781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).