4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol

C14H20N4O2S — CID 103329216

IUPAC4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESCCc1cc2c(NCC3(O)CCOCC3)nc(N)nc2s1
InChIInChI=1S/C14H20N4O2S/c1-2-9-7-10-11(17-13(15)18-12(10)21-9)16-8-14(19)3-5-20-6-4-14/h7,19H,2-6,8H2,1H3,(H3,15,16,17,18)
InChIKeyNKKSHUXTHRCYPS-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.79
Rot. Bonds4

About 4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol

4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol (PubChem CID 103329216) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
PubChem CID103329216
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESCCc1cc2c(NCC3(O)CCOCC3)nc(N)nc2s1
InChIInChI=1S/C14H20N4O2S/c1-2-9-7-10-11(17-13(15)18-12(10)21-9)16-8-14(19)3-5-20-6-4-14/h7,19H,2-6,8H2,1H3,(H3,15,16,17,18)
InChIKeyNKKSHUXTHRCYPS-UHFFFAOYSA-N
XLogP1.79
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol with MolForge

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Related Compounds

6-ethyl-4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327914
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
[2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 103328658
4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81131918
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330088
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
6-ethyl-4-N-(5-methylhexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329299
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324239

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol (CID 103329216) is 4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol is CCc1cc2c(NCC3(O)CCOCC3)nc(N)nc2s1.
What is the InChIKey of 4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol?
The InChIKey is NKKSHUXTHRCYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-9-7-10-11(17-13(15)18-12(10)21-9)16-8-14(19)3-5-20-6-4-14/h7,19H,2-6,8H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol?
4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol has a molecular weight of 308.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 103329216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).