2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine

C16H26N4S — CID 62208085

IUPAC2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN(C)CC(C)(C)C)nc2sccc12
InChIInChI=1S/C16H26N4S/c1-6-8-17-14-12-7-9-21-15(12)19-13(18-14)10-20(5)11-16(2,3)4/h7,9H,6,8,10-11H2,1-5H3,(H,17,18,19)
InChIKeyLHKDEELHEUZTKB-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.99
Rot. Bonds6

About 2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine

2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62208085) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62208085
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN(C)CC(C)(C)C)nc2sccc12
InChIInChI=1S/C16H26N4S/c1-6-8-17-14-12-7-9-21-15(12)19-13(18-14)10-20(5)11-16(2,3)4/h7,9H,6,8,10-11H2,1-5H3,(H,17,18,19)
InChIKeyLHKDEELHEUZTKB-UHFFFAOYSA-N
XLogP3.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide
CID 62183982
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 62207948
2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184127
N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183378
N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184037
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178950
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188539
2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485368
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 62208085) is 2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CN(C)CC(C)(C)C)nc2sccc12.
What is the InChIKey of 2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LHKDEELHEUZTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-6-8-17-14-12-7-9-21-15(12)19-13(18-14)10-20(5)11-16(2,3)4/h7,9H,6,8,10-11H2,1-5H3,(H,17,18,19).
What are the key properties of 2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 306.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62208085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).