2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine

C13H18N4S — CID 103330161

IUPAC2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2(C)CCC2)c2ccsc2n1
InChIInChI=1S/C13H18N4S/c1-3-14-12-15-10(17-13(2)6-4-7-13)9-5-8-18-11(9)16-12/h5,8H,3-4,6-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyWLWZJPDUJBEYDX-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.48
Rot. Bonds4

About 2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330161) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330161
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2(C)CCC2)c2ccsc2n1
InChIInChI=1S/C13H18N4S/c1-3-14-12-15-10(17-13(2)6-4-7-13)9-5-8-18-11(9)16-12/h5,8H,3-4,6-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyWLWZJPDUJBEYDX-UHFFFAOYSA-N
XLogP3.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330237
2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330122
4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328211
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103329315
2-N-ethyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328858
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329346
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103327286
2-N-ethyl-4-N-(2-methylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327686
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330161) is 2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NC2(C)CCC2)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WLWZJPDUJBEYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-14-12-15-10(17-13(2)6-4-7-13)9-5-8-18-11(9)16-12/h5,8H,3-4,6-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).