[2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol

C14H20N4OS — CID 103328659

IUPAC[2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
SMILESCNc1nc(NCC2CCCC2CO)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c1-15-14-17-12(11-5-6-20-13(11)18-14)16-7-9-3-2-4-10(9)8-19/h5-6,9-10,19H,2-4,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyBYVGLTUAFSCFIP-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.55
Rot. Bonds5

About [2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol

[2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol (PubChem CID 103328659) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is [2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
PubChem CID103328659
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name[2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
SMILESCNc1nc(NCC2CCCC2CO)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c1-15-14-17-12(11-5-6-20-13(11)18-14)16-7-9-3-2-4-10(9)8-19/h5-6,9-10,19H,2-4,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyBYVGLTUAFSCFIP-UHFFFAOYSA-N
XLogP2.55
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103328665
[2-[[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328663
2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329130
3-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137981
2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327381
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324409
5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 103328237
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
4-N-(1,4-dithian-2-ylmethyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330218
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]-N-propan-2-ylacetamide
CID 103325098
3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103328737

Frequently Asked Questions

What is the IUPAC name of [2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol (CID 103328659) is [2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol is CNc1nc(NCC2CCCC2CO)c2ccsc2n1.
What is the InChIKey of [2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The InChIKey is BYVGLTUAFSCFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-15-14-17-12(11-5-6-20-13(11)18-14)16-7-9-3-2-4-10(9)8-19/h5-6,9-10,19H,2-4,7-8H2,1H3,(H2,15,16,17,18).
What are the key properties of [2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
[2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol has a molecular weight of 292.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 103328659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).