N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine

C13H18N4S — CID 44590972

IUPACN-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N/N=C\C(C)(C)C)ncnc2s1
InChIInChI=1S/C13H18N4S/c1-5-9-6-10-11(14-8-15-12(10)18-9)17-16-7-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,17)/b16-7-
InChIKeyLLWCGAAUHISIMG-APSNUPSMSA-N
MW262.38 g/mol
LogP3.70
Rot. Bonds3

About N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine

N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 44590972) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID44590972
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N/N=C\C(C)(C)C)ncnc2s1
InChIInChI=1S/C13H18N4S/c1-5-9-6-10-11(14-8-15-12(10)18-9)17-16-7-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,17)/b16-7-
InChIKeyLLWCGAAUHISIMG-APSNUPSMSA-N
XLogP3.70
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 44590972) is N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N/N=C\C(C)(C)C)ncnc2s1.
What is the InChIKey of N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LLWCGAAUHISIMG-APSNUPSMSA-N. The full InChI is InChI=1S/C13H18N4S/c1-5-9-6-10-11(14-8-15-12(10)18-9)17-16-7-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,17)/b16-7-.
What are the key properties of N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine?
N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,2-dimethylpropylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 44590972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).