2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C15H23N5S — CID 103327610

IUPAC2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)CCN2CCCC2)c2cc(C)sc2n1
InChIInChI=1S/C15H23N5S/c1-11-10-12-13(17-15(16-2)18-14(12)21-11)19(3)8-9-20-6-4-5-7-20/h10H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyXMMYVHQOMZWUON-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.57
Rot. Bonds5

About 2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327610) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327610
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)CCN2CCCC2)c2cc(C)sc2n1
InChIInChI=1S/C15H23N5S/c1-11-10-12-13(17-15(16-2)18-14(12)21-11)19(3)8-9-20-6-4-5-7-20/h10H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyXMMYVHQOMZWUON-UHFFFAOYSA-N
XLogP2.57
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-chloro-2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80829025
2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 103326513
2-N,6-dimethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325508
5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80914641
2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327339
4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325739
2-N-ethyl-4-N,6-dimethyl-4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325641
4-N-(1-ethylpiperidin-3-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326015
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
CID 103324497
2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334584
4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103329896
4-N,6-dimethyl-4-N-(2-methylsulfanylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329651

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327610) is 2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N(C)CCN2CCCC2)c2cc(C)sc2n1.
What is the InChIKey of 2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XMMYVHQOMZWUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-11-10-12-13(17-15(16-2)18-14(12)21-11)19(3)8-9-20-6-4-5-7-20/h10H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 305.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).