2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C16H18N4S — CID 62184069

IUPAC2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)c2cccc(C)c2)nc2sccc12
InChIInChI=1S/C16H18N4S/c1-11-5-4-6-12(9-11)20(3)10-14-18-15(17-2)13-7-8-21-16(13)19-14/h4-9H,10H2,1-3H3,(H,17,18,19)
InChIKeyJTMNBYJHFKJLPA-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.68
Rot. Bonds4

About 2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62184069) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62184069
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)c2cccc(C)c2)nc2sccc12
InChIInChI=1S/C16H18N4S/c1-11-5-4-6-12(9-11)20(3)10-14-18-15(17-2)13-7-8-21-16(13)19-14/h4-9H,10H2,1-3H3,(H,17,18,19)
InChIKeyJTMNBYJHFKJLPA-UHFFFAOYSA-N
XLogP3.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 62184069) is 2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(CN(C)c2cccc(C)c2)nc2sccc12.
What is the InChIKey of 2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JTMNBYJHFKJLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11-5-4-6-12(9-11)20(3)10-14-18-15(17-2)13-7-8-21-16(13)19-14/h4-9H,10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 298.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62184069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).