2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine

C15H22N4OS — CID 62208735

IUPAC2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN(CCOC)C2CC2)nc2sccc12
InChIInChI=1S/C15H22N4OS/c1-3-16-14-12-6-9-21-15(12)18-13(17-14)10-19(7-8-20-2)11-4-5-11/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,16,17,18)
InChIKeyJDSIYNDEGDBPAF-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.73
Rot. Bonds8

About 2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine

2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62208735) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62208735
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN(CCOC)C2CC2)nc2sccc12
InChIInChI=1S/C15H22N4OS/c1-3-16-14-12-6-9-21-15(12)18-13(17-14)10-19(7-8-20-2)11-4-5-11/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,16,17,18)
InChIKeyJDSIYNDEGDBPAF-UHFFFAOYSA-N
XLogP2.73
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184127
2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 62208644
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 102928811
2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 102870575
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 82953478
N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183378
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178950
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
2-cyclopropyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62188847
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine (CID 62208735) is 2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CN(CCOC)C2CC2)nc2sccc12.
What is the InChIKey of 2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JDSIYNDEGDBPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-16-14-12-6-9-21-15(12)18-13(17-14)10-19(7-8-20-2)11-4-5-11/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine?
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 306.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62208735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).