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

C13H20N4OS — CID 106258455

IUPAC2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nc(N)nc2sccc12
InChIInChI=1S/C13H20N4OS/c1-3-13(4-2,8-18)7-15-10-9-5-6-19-11(9)17-12(14)16-10/h5-6,18H,3-4,7-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyYZAOKXRVNYDVDP-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.48
Rot. Bonds6

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

2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106258455) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106258455
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nc(N)nc2sccc12
InChIInChI=1S/C13H20N4OS/c1-3-13(4-2,8-18)7-15-10-9-5-6-19-11(9)17-12(14)16-10/h5-6,18H,3-4,7-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyYZAOKXRVNYDVDP-UHFFFAOYSA-N
XLogP2.48
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 103327980
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
2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol
CID 103844406
2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258368
2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 114165208
4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106015430
[1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 103329348
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334449
4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 107818983
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol (CID 106258455) is 2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1nc(N)nc2sccc12.
What is the InChIKey of 2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is YZAOKXRVNYDVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-3-13(4-2,8-18)7-15-10-9-5-6-19-11(9)17-12(14)16-10/h5-6,18H,3-4,7-8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 280.40 g/mol, XLogP of 2.48, 6 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]-2-ethylbutan-1-ol is sourced from PubChem (CID 106258455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).