4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

C12H18N4S — CID 103324085

IUPAC4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C12H18N4S/c1-5-7(2)14-10-9-6-8(3)17-11(9)16-12(13-4)15-10/h6-7H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyLQUOUYCLVZJQSD-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.25
Rot. Bonds4

About 4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324085) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324085
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C12H18N4S/c1-5-7(2)14-10-9-6-8(3)17-11(9)16-12(13-4)15-10/h6-7H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyLQUOUYCLVZJQSD-UHFFFAOYSA-N
XLogP3.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125
4-N-(4-methoxybutan-2-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328333
2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 106028883
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324859
4-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329470
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327956
methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate
CID 103326679
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324235
2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328336
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329938
4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324349

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324085) is 4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is CCC(C)Nc1nc(NC)nc2sc(C)cc12.
What is the InChIKey of 4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is LQUOUYCLVZJQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-5-7(2)14-10-9-6-8(3)17-11(9)16-12(13-4)15-10/h6-7H,5H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 250.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).