[1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol

C12H14ClN3OS — CID 103322245

IUPAC[1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
SMILESCc1cc2c(NCC3(CO)CC3)nc(Cl)nc2s1
InChIInChI=1S/C12H14ClN3OS/c1-7-4-8-9(14-5-12(6-17)2-3-12)15-11(13)16-10(8)18-7/h4,17H,2-3,5-6H2,1H3,(H,14,15,16)
InChIKeySMIIVZZFXCXRKQ-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.84
Rot. Bonds4

About [1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol

[1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol (PubChem CID 103322245) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is [1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
PubChem CID103322245
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name[1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
SMILESCc1cc2c(NCC3(CO)CC3)nc(Cl)nc2s1
InChIInChI=1S/C12H14ClN3OS/c1-7-4-8-9(14-5-12(6-17)2-3-12)15-11(13)16-10(8)18-7/h4,17H,2-3,5-6H2,1H3,(H,14,15,16)
InChIKeySMIIVZZFXCXRKQ-UHFFFAOYSA-N
XLogP2.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103321912
[1-[[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329347
[1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol
CID 103321492
2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103322179
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 82066304
2-[1-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 103335861
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492
2-[3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propoxy]ethanol
CID 114171977
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476
[1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329341
2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321828
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 82066307

Frequently Asked Questions

What is the IUPAC name of [1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol (CID 103322245) is [1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol is Cc1cc2c(NCC3(CO)CC3)nc(Cl)nc2s1.
What is the InChIKey of [1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The InChIKey is SMIIVZZFXCXRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-7-4-8-9(14-5-12(6-17)2-3-12)15-11(13)16-10(8)18-7/h4,17H,2-3,5-6H2,1H3,(H,14,15,16).
What are the key properties of [1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
[1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol has a molecular weight of 283.78 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 103322245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).