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

C14H20N4OS — CID 103328665

IUPAC[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESNc1nc(NCC2CCCCC2CO)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c15-14-17-12(11-5-6-20-13(11)18-14)16-7-9-3-1-2-4-10(9)8-19/h5-6,9-10,19H,1-4,7-8H2,(H3,15,16,17,18)
InChIKeyKNGJPLBECZADMS-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.48
Rot. Bonds4

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

[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 103328665) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is [2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID103328665
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESNc1nc(NCC2CCCCC2CO)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c15-14-17-12(11-5-6-20-13(11)18-14)16-7-9-3-1-2-4-10(9)8-19/h5-6,9-10,19H,1-4,7-8H2,(H3,15,16,17,18)
InChIKeyKNGJPLBECZADMS-UHFFFAOYSA-N
XLogP2.48
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 107421156
[2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328659
[2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 103328658
[1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 103329348
4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325288
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327918
cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol
CID 124506194
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258455
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103480
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290

Frequently Asked Questions

What is the IUPAC name of [2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (CID 103328665) is [2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is Nc1nc(NCC2CCCCC2CO)c2ccsc2n1.
What is the InChIKey of [2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is KNGJPLBECZADMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c15-14-17-12(11-5-6-20-13(11)18-14)16-7-9-3-1-2-4-10(9)8-19/h5-6,9-10,19H,1-4,7-8H2,(H3,15,16,17,18).
What are the key properties of [2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 292.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103328665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).