[1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol

C15H22N4OS — CID 103329341

IUPAC[1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
SMILESCCNc1nc(NCC2(CO)CC2)c2cc(CC)sc2n1
InChIInChI=1S/C15H22N4OS/c1-3-10-7-11-12(17-8-15(9-20)5-6-15)18-14(16-4-2)19-13(11)21-10/h7,20H,3-6,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyPJMLIDLRDYLOHQ-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.87
Rot. Bonds7

About [1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol

[1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol (PubChem CID 103329341) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is [1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
PubChem CID103329341
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name[1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
SMILESCCNc1nc(NCC2(CO)CC2)c2cc(CC)sc2n1
InChIInChI=1S/C15H22N4OS/c1-3-10-7-11-12(17-8-15(9-20)5-6-15)18-14(16-4-2)19-13(11)21-10/h7,20H,3-6,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyPJMLIDLRDYLOHQ-UHFFFAOYSA-N
XLogP2.87
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[[[6-ethyl-2-(ethylamino)thieno[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
[1-[[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329347
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103329315
4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466672
2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 103327253
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol
CID 103330320
[1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
CID 103330455
1-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 103330490
[1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 103322245
4-(2,2-dimethylpyrrolidin-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
CID 103327611

Frequently Asked Questions

What is the IUPAC name of [1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol (CID 103329341) is [1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol is CCNc1nc(NCC2(CO)CC2)c2cc(CC)sc2n1.
What is the InChIKey of [1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The InChIKey is PJMLIDLRDYLOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-10-7-11-12(17-8-15(9-20)5-6-15)18-14(16-4-2)19-13(11)21-10/h7,20H,3-6,8-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of [1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
[1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol has a molecular weight of 306.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 103329341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).