2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate

C9H10N4O2S — CID 83204037

IUPAC2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
SMILESNC(=O)OCCNc1ncnc2sccc12
InChIInChI=1S/C9H10N4O2S/c10-9(14)15-3-2-11-7-6-1-4-16-8(6)13-5-12-7/h1,4-5H,2-3H2,(H2,10,14)(H,11,12,13)
InChIKeyKXPJGUUWTKANGT-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.20
Rot. Bonds4

About 2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate

2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate (PubChem CID 83204037) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
PubChem CID83204037
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
SMILESNC(=O)OCCNc1ncnc2sccc12
InChIInChI=1S/C9H10N4O2S/c10-9(14)15-3-2-11-7-6-1-4-16-8(6)13-5-12-7/h1,4-5H,2-3H2,(H2,10,14)(H,11,12,13)
InChIKeyKXPJGUUWTKANGT-UHFFFAOYSA-N
XLogP1.20
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60730692
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9453782
1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one
CID 39948758
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
CID 47060280
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9450255
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
CID 115628477
3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzoic acid
CID 63795475

Frequently Asked Questions

What is the IUPAC name of 2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate?
The IUPAC name of 2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate (CID 83204037) is 2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate.
What is the SMILES notation for 2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate?
The canonical SMILES for 2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate is NC(=O)OCCNc1ncnc2sccc12.
What is the InChIKey of 2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate?
The InChIKey is KXPJGUUWTKANGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-9(14)15-3-2-11-7-6-1-4-16-8(6)13-5-12-7/h1,4-5H,2-3H2,(H2,10,14)(H,11,12,13).
What are the key properties of 2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate?
2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate has a molecular weight of 238.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate is sourced from PubChem (CID 83204037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).