2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C13H19N5S — CID 103325873

IUPAC2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCN(C)C2)c2cc(C)sc2n1
InChIInChI=1S/C13H19N5S/c1-8-6-10-11(15-9-4-5-18(3)7-9)16-13(14-2)17-12(10)19-8/h6,9H,4-5,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyNJAIUIHBTGPKKH-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.16
Rot. Bonds3

About 2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325873) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325873
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCN(C)C2)c2cc(C)sc2n1
InChIInChI=1S/C13H19N5S/c1-8-6-10-11(15-9-4-5-18(3)7-9)16-13(14-2)17-12(10)19-8/h6,9H,4-5,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyNJAIUIHBTGPKKH-UHFFFAOYSA-N
XLogP2.16
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
4-N-(1-ethylpiperidin-3-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326015
2-N,6-dimethyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325220
3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 103328691
4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328381
2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324733
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324744
1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 103327446
4-(3,4-dimethylpyrrolidin-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103328825
[2-[[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328663
4-(2-ethylthiomorpholin-4-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103330530
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103325873) is 2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NC2CCN(C)C2)c2cc(C)sc2n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NJAIUIHBTGPKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-8-6-10-11(15-9-4-5-18(3)7-9)16-13(14-2)17-12(10)19-8/h6,9H,4-5,7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 277.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).