2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol

C14H19N3OS — CID 114749444

IUPAC2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
SMILESCc1sc2ncnc(NCC3(CCO)CC3)c2c1C
InChIInChI=1S/C14H19N3OS/c1-9-10(2)19-13-11(9)12(16-8-17-13)15-7-14(3-4-14)5-6-18/h8,18H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyMUKRNUXJUMHPIM-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.88
Rot. Bonds5

About 2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114749444) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID114749444
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
SMILESCc1sc2ncnc(NCC3(CCO)CC3)c2c1C
InChIInChI=1S/C14H19N3OS/c1-9-10(2)19-13-11(9)12(16-8-17-13)15-7-14(3-4-14)5-6-18/h8,18H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyMUKRNUXJUMHPIM-UHFFFAOYSA-N
XLogP2.88
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 107265827
1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118696
[1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
CID 115731858
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 114174333
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 103746126
2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 105369731
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60706733
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol (CID 114749444) is 2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol is Cc1sc2ncnc(NCC3(CCO)CC3)c2c1C.
What is the InChIKey of 2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is MUKRNUXJUMHPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-10(2)19-13-11(9)12(16-8-17-13)15-7-14(3-4-14)5-6-18/h8,18H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 277.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114749444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).