2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol

C14H20N4OS — CID 102870575

IUPAC2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
SMILESCNc1nc(CN(CCO)C2CCC2)nc2sccc12
InChIInChI=1S/C14H20N4OS/c1-15-13-11-5-8-20-14(11)17-12(16-13)9-18(6-7-19)10-3-2-4-10/h5,8,10,19H,2-4,6-7,9H2,1H3,(H,15,16,17)
InChIKeyBNOCKVGCDQGTIV-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.08
Rot. Bonds6

About 2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol

2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol (PubChem CID 102870575) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
PubChem CID102870575
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
SMILESCNc1nc(CN(CCO)C2CCC2)nc2sccc12
InChIInChI=1S/C14H20N4OS/c1-15-13-11-5-8-20-14(11)17-12(16-13)9-18(6-7-19)10-3-2-4-10/h5,8,10,19H,2-4,6-7,9H2,1H3,(H,15,16,17)
InChIKeyBNOCKVGCDQGTIV-UHFFFAOYSA-N
XLogP2.08
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 62208644
2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184127
2-[[1-cyclopropylethyl(methyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182231
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62208735
2-(diethylaminomethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62178753
2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182196
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 62244736
2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62189947
2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62194547
1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
CID 62208262
N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63274778
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 82953478

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol (CID 102870575) is 2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol is CNc1nc(CN(CCO)C2CCC2)nc2sccc12.
What is the InChIKey of 2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol?
The InChIKey is BNOCKVGCDQGTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-15-13-11-5-8-20-14(11)17-12(16-13)9-18(6-7-19)10-3-2-4-10/h5,8,10,19H,2-4,6-7,9H2,1H3,(H,15,16,17).
What are the key properties of 2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol?
2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol has a molecular weight of 292.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 102870575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).