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

C13H18N4OS — CID 62208644

IUPAC2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
SMILESCNc1nc(CN(CCO)C2CC2)nc2sccc12
InChIInChI=1S/C13H18N4OS/c1-14-12-10-4-7-19-13(10)16-11(15-12)8-17(5-6-18)9-2-3-9/h4,7,9,18H,2-3,5-6,8H2,1H3,(H,14,15,16)
InChIKeyMQPRTHDUUHXLAU-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.69
Rot. Bonds6

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

2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol (PubChem CID 62208644) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
PubChem CID62208644
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
SMILESCNc1nc(CN(CCO)C2CC2)nc2sccc12
InChIInChI=1S/C13H18N4OS/c1-14-12-10-4-7-19-13(10)16-11(15-12)8-17(5-6-18)9-2-3-9/h4,7,9,18H,2-3,5-6,8H2,1H3,(H,14,15,16)
InChIKeyMQPRTHDUUHXLAU-UHFFFAOYSA-N
XLogP1.69
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 102870575
2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184127
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62208735
2-[[1-cyclopropylethyl(methyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182231
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-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
2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62189947
2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62194547
N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 81074567
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63692488

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol (CID 62208644) is 2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol is CNc1nc(CN(CCO)C2CC2)nc2sccc12.
What is the InChIKey of 2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol?
The InChIKey is MQPRTHDUUHXLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-14-12-10-4-7-19-13(10)16-11(15-12)8-17(5-6-18)9-2-3-9/h4,7,9,18H,2-3,5-6,8H2,1H3,(H,14,15,16).
What are the key properties of 2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol?
2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol has a molecular weight of 278.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 62208644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).