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

C11H14N4OS — CID 103329348

IUPAC[1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
SMILESNc1nc(NCC2(CO)CC2)c2ccsc2n1
InChIInChI=1S/C11H14N4OS/c12-10-14-8(7-1-4-17-9(7)15-10)13-5-11(6-16)2-3-11/h1,4,16H,2-3,5-6H2,(H3,12,13,14,15)
InChIKeyGHSZWXNWZNWRLI-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.46
Rot. Bonds4

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

[1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol (PubChem CID 103329348) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is [1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
PubChem CID103329348
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name[1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
SMILESNc1nc(NCC2(CO)CC2)c2ccsc2n1
InChIInChI=1S/C11H14N4OS/c12-10-14-8(7-1-4-17-9(7)15-10)13-5-11(6-16)2-3-11/h1,4,16H,2-3,5-6H2,(H3,12,13,14,15)
InChIKeyGHSZWXNWZNWRLI-UHFFFAOYSA-N
XLogP1.46
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329346
4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327918
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103329315
3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103480
4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329026
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103328665
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258455
2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114109137
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 114148662

Frequently Asked Questions

What is the IUPAC name of [1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol (CID 103329348) is [1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol is Nc1nc(NCC2(CO)CC2)c2ccsc2n1.
What is the InChIKey of [1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The InChIKey is GHSZWXNWZNWRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-10-14-8(7-1-4-17-9(7)15-10)13-5-11(6-16)2-3-11/h1,4,16H,2-3,5-6H2,(H3,12,13,14,15).
What are the key properties of [1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
[1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol has a molecular weight of 250.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 103329348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).