4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine

C13H20N4S — CID 103325150

IUPAC4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCC(C)N(C)c1nc(N)nc2sc(C)cc12
InChIInChI=1S/C13H20N4S/c1-5-6-8(2)17(4)11-10-7-9(3)18-12(10)16-13(14)15-11/h7-8H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyWCUVCFNZMMITHC-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.21
Rot. Bonds4

About 4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine

4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325150) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325150
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCC(C)N(C)c1nc(N)nc2sc(C)cc12
InChIInChI=1S/C13H20N4S/c1-5-6-8(2)17(4)11-10-7-9(3)18-12(10)16-13(14)15-11/h7-8H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyWCUVCFNZMMITHC-UHFFFAOYSA-N
XLogP3.21
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324624
4-N,4-N-diethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323823
3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 103326383
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol
CID 103329881
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103326326
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 103326512
4-N-(2-methoxyethyl)-6-methyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326280
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 103326548
2-hydrazinyl-N,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 103335021
4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334135
6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765903
2-N-ethyl-4-N-(1-methoxypropan-2-yl)-4-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325816

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103325150) is 4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine is CCCC(C)N(C)c1nc(N)nc2sc(C)cc12.
What is the InChIKey of 4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WCUVCFNZMMITHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-5-6-8(2)17(4)11-10-7-9(3)18-12(10)16-13(14)15-11/h7-8H,5-6H2,1-4H3,(H2,14,15,16).
What are the key properties of 4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 264.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).