[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol

C10H12ClN3OS — CID 59708441

IUPAC[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol
SMILESOCC1(Nc2nc(Cl)nc3c2SCC3)CC1
InChIInChI=1S/C10H12ClN3OS/c11-9-12-6-1-4-16-7(6)8(13-9)14-10(5-15)2-3-10/h15H,1-5H2,(H,12,13,14)
InChIKeyBYDOBYHACJNKAF-UHFFFAOYSA-N
MW257.75 g/mol
LogP1.72
Rot. Bonds3

About [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol

[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol (PubChem CID 59708441) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol
PubChem CID59708441
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol
SMILESOCC1(Nc2nc(Cl)nc3c2SCC3)CC1
InChIInChI=1S/C10H12ClN3OS/c11-9-12-6-1-4-16-7(6)8(13-9)14-10(5-15)2-3-10/h15H,1-5H2,(H,12,13,14)
InChIKeyBYDOBYHACJNKAF-UHFFFAOYSA-N
XLogP1.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol?
The IUPAC name of [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol (CID 59708441) is [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol?
The canonical SMILES for [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol is OCC1(Nc2nc(Cl)nc3c2SCC3)CC1.
What is the InChIKey of [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol?
The InChIKey is BYDOBYHACJNKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c11-9-12-6-1-4-16-7(6)8(13-9)14-10(5-15)2-3-10/h15H,1-5H2,(H,12,13,14).
What are the key properties of [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol?
[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol has a molecular weight of 257.75 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol is sourced from PubChem (CID 59708441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).